| Revision as of 16:22, 16 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 476917548 of page 1,3-Dichloropropene for the Chem/Drugbox validation project (updated: 'ChEBI').← Previous edit |
Latest revision as of 14:25, 29 January 2022 edit undo119.246.116.98 (talk)No edit summary |
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{{ambox | text = This page contains a copy of the infobox ({{tl|chembox}}) taken from revid of page ] with values updated to verified values.}} |
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{{ambox | text = This page contains a copy of the infobox ({{tl|drugbox}}) taken from revid of page ] with values updated to verified values.}} |
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{{chembox |
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{{drugbox |
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| verifiedrevid = 477001424 |
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| Verifiedfields = changed |
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| IUPAC_name = 2-Oxo-<small>L</small>-threo-hexono-1,4-lactone-2,3-enediol<br />''or''<br />(''R'')-3,4-dihydroxy-5-((''S'')- 1,2-dihydroxyethyl)furan-2(5''H'')-one |
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| verifiedrevid = 456494933 |
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| ImageFileL1 = Trans-1,3-Dichloropropene.svg |
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| image = L-Ascorbic_acid.svg |
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| ImageSizeL1 = 130px |
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| width = 200px |
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| image2 = Ascorbic-acid-from-xtal-1997-3D-balls.png |
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| ImageNameL1 = Skeletal formula of the trans isomer |
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| width2 = 200px |
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| ImageFileR1 = Cis-1,3-Dichloropropene.svg |
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| ImageSizeR1 = 120px |
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<!--Clinical data--> |
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| ImageNameR1 = Skeletal formula of the cis isomer |
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| Drugs.com = {{drugs.com|MTM|vitamin_c}} |
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| ImageFileL2 = Trans-1,3-Dichloropropene-3D-balls.png |
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| licence_EU = <!-- EMEA requires brand name --> |
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| ImageSizeL2 = 120px |
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| licence_US = <!-- FDA may use generic name --> |
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| ImageNameL2 = Ball-and-stick model of the trans isomer |
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| pregnancy_AU = <!-- A / B1 / B2 / B3 / C / D / X --> |
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| ImageFileR2 = Cis-1,3-Dichloropropene-3D-balls.png |
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| pregnancy_US = <!-- A / B / C / D / X --> |
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| ImageSizeR2 = 120px |
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| pregnancy_category = A |
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| ImageNameR2 = Ball-and-stick model of the cis isomer |
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| legal_AU = <!-- Unscheduled / S2 / S3 / S4 / S5 / S6 / S7 / S8 / S9 --> |
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| IUPACName = 1,3-dichloroprop-1-ene |
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| legal_CA = <!-- / Schedule I, II, III, IV, V, VI, VII, VIII --> |
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| SystematicName = 1-Propene, 1,3-dichloro-, (1E)- |
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| legal_UK = <!-- GSL / P / POM / CD / Class A, B, C --> |
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| OtherNames = 1,3-D, Dorlone, Nematox, Telone, Nemex, cis-Dichloropropene, Di-Trapex CP, Vorlex 201, dichloro-1,3-propene, 1,3-dichloro-1-propene, 1,3-dichloro-2-propene, alpha-chloroallylchloride, chloroallylchloride, gamma-chloroallylchloride, chloroallyl chloride, chloroorpropenyl chloride, 3-dichloropropylene, 3-D, DCP |
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| legal_US = <!-- OTC / Rx-only / Schedule I, II, III, IV, V --> |
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| Section1 = {{Chembox Identifiers |
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| legal_status = general public availability |
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| Abbreviations = |
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| routes_of_administration = oral |
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| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} |
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| ChemSpiderID = 23117 |
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<!--Pharmacokinetic data--> |
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| InChIKey = UOORRWUZONOOLO-OWOJBTEDBJ |
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| bioavailability = rapid & complete |
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| StdInChI_Ref = {{stdinchicite|correct|chemspider}} |
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| protein_bound = negligible |
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| StdInChI = 1S/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2/b2-1+ |
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| elimination_half-life = varies according to plasma concentration <!-- can be 30 min to weeks, depending on body stores --> |
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| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} |
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| excretion = renal |
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| StdInChIKey = UOORRWUZONOOLO-OWOJBTEDSA-N |
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<!--Identifiers--> |
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| CASNo_Ref = {{cascite|correct|CAS}} |
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| CASNo_Ref = {{cascite|correct|CAS}} |
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| CAS_number_Ref = {{cascite|correct|??}} |
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| CASNo = 542-75-6 |
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| EINECS = 208-826-5 |
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| CAS_number = 50-81-7 |
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| EINECSCASNO = |
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| ATC_prefix = A |
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| ATC_suffix = 11G |
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| ChEMBL_Ref = {{ebicite|correct|EBI}} |
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| ChEBI_Ref = {{ebicite|correct|EBI}} |
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| ChEMBL = 155926 |
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| PubChem = 24726 |
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| ChEBI = 29073 |
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| PubChem = 5785 |
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| DrugBank_Ref = {{drugbankcite|correct|drugbank}} |
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| DrugBank = DB00126 |
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| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} |
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| ChemSpiderID = 10189562 |
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| NIAID_ChemDB = 002072 |
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| UNII_Ref = {{fdacite|correct|FDA}} |
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| UNII_Ref = {{fdacite|correct|FDA}} |
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| UNII = 9H780918D0 |
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| UNII = PQ6CK8PD0R |
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| SMILES = Cl=CCCl |
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| InChI = 1/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2/b2-1+ |
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| RTECS = UC8310000 |
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| MeSHName = 1,3-dichloro-1-propene |
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| ChEBI_Ref = {{ebicite|changed|EBI}} |
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| ChEBI = 18624 |
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| KEGG_Ref = {{keggcite|correct|kegg}} |
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| KEGG_Ref = {{keggcite|correct|kegg}} |
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| KEGG = C18627 |
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| KEGG = D00018 |
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| ChEMBL_Ref = {{ebicite|correct|EBI}} |
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| ATCCode_prefix = |
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| ChEMBL = 196 |
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| ATCCode_suffix = |
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| ATC_Supplemental =}} |
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<!--Chemical data--> |
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| Section2 = {{Chembox Properties |
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| chemical_formula = |
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| Formula = C<sub>3</sub>H<sub>4</sub>Cl<sub>2</sub> |
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| C=6 | H=7 | O=6 |
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| MolarMass = 110.97 g/mol |
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| molecular_weight = 176.12 g/] |
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| Appearance = Colorless to straw-colored liquid, sweet chloroform-like odor |
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| smiles = C((1C(=C(C(=O)O1)O)O)O)O |
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| Density = 1.217 g/mL (cis); 1.224 g/mL (trans) |
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| InChI = 1/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1 |
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| MeltingPt = -84.5 °C |
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| StdInChI_Ref = {{stdinchicite|correct|chemspider}} |
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| Melting_notes = |
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| StdInChI = 1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1 |
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| BoilingPt = 104 °C (cis); 112 °C (trans) |
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| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} |
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| Boiling_notes = |
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| StdInChIKey = CIWBSHSKHKDKBQ-JLAZNSOCSA-N |
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| Solubility = 2.18 g/L (cis) @ 25 °C; 2.32 g/L (trans) @ 25 °C |
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| synonyms = <small>L</small>-ascorbic acid |
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| SolubleOther = |
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| Solvent = |
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| density = 1.694 |
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| LogP = 1.82 |
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| melting_point = 190 |
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| boiling_point = 553 |
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| VaporPressure = 34.4 mm Hg @ 25 °C (cis); 23.0 mm Hg @ 25 °C (trans) |
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| HenryConstant = |
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| AtmosphericOHRateConstant = |
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| pKa = |
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| pKb = }} |
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| Section3 = {{Chembox Structure |
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| CrystalStruct = |
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| Coordination = |
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| MolShape = }} |
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| Section4 = {{Chembox Thermochemistry |
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| DeltaHf = |
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| DeltaHc = |
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| Entropy = |
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| HeatCapacity = }} |
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| Section5 = {{Chembox Pharmacology |
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| AdminRoutes = |
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| Bioavail = |
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| Metabolism = |
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| HalfLife = |
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| ProteinBound = |
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| Excretion = |
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| Legal_status = |
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| Legal_US = |
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| Legal_UK = |
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| Legal_AU = |
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| Legal_CA = |
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| PregCat = |
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| PregCat_AU = |
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| PregCat_US = }} |
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| Section6 = {{Chembox Explosive |
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| ShockSens = |
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| FrictionSens = |
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| ExplosiveV = |
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| REFactor = }} |
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| Section7 = {{Chembox Hazards |
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| EUClass = T,N |
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| EUIndex = 208-826-5 |
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| MainHazards = |
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| NFPA-H = 2 |
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| NFPA-F = 3 |
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| NFPA-R = 0 |
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| NFPA-O = |
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| RPhrases = 10-20/21-25-36/37/38-43-50/53 |
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| SPhrases = (1/2-)-36/37-45-60-61 |
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| RSPhrases = |
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| FlashPt = 28 °C |
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| Autoignition = > 500 °C |
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| ExploLimits = 5.3% - 14.5% (80 °C) |
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| PEL = 1}} |
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| Section8 = {{Chembox Related |
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| OtherAnions = |
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| OtherCations = |
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| OtherFunctn = |
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| Function = |
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| OtherCpds = }} |
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}} |
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}} |
