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Revision as of 16:22, 16 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,055 edits Saving copy of the {{chembox}} taken from revid 456618308 of page 1,3-Dibromopropane for the Chem/Drugbox validation project (updated: '').← Previous edit Revision as of 16:22, 16 February 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,055 edits Saving copy of the {{chembox}} taken from revid 476917548 of page 1,3-Dichloropropene for the Chem/Drugbox validation project (updated: 'ChEBI').Next edit →
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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.}} {{ambox | text = This page contains a copy of the infobox ({{tl|chembox}}) taken from revid of page ] with values updated to verified values.}}
{{chembox {{chembox
| Verifiedfields = changed
| verifiedrevid = 443341251
| verifiedrevid = 456494933
| ImageFile = 1%2C3-Dibrompropan.png
| ImageFileL1 = Trans-1,3-Dichloropropene.svg
| ImageSize = 200px
| ImageSizeL1 = 130px
| ImageName = 1,3-dibromopropane
| ImageNameL1 = Skeletal formula of the trans isomer
| IUPACName = 1,3-dibromopropane
| ImageFileR1 = Cis-1,3-Dichloropropene.svg
| OtherNames = trimethylene dibromide
| ImageSizeR1 = 120px
| OtherNames = trimethylenebromide
| ImageNameR1 = Skeletal formula of the cis isomer
| ImageFileL2 = Trans-1,3-Dichloropropene-3D-balls.png
| ImageSizeL2 = 120px
| ImageNameL2 = Ball-and-stick model of the trans isomer
| ImageFileR2 = Cis-1,3-Dichloropropene-3D-balls.png
| ImageSizeR2 = 120px
| ImageNameR2 = Ball-and-stick model of the cis isomer
| IUPACName = 1,3-dichloroprop-1-ene
| SystematicName = 1-Propene, 1,3-dichloro-, (1E)-
| 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
| Section1 = {{Chembox Identifiers | Section1 = {{Chembox Identifiers
| Abbreviations =
| UNII_Ref = {{fdacite|correct|FDA}}
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| UNII = YQR3048IX9
| SMILES = BrCCCBr | ChemSpiderID = 23117
| InChIKey = UOORRWUZONOOLO-OWOJBTEDBJ
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ChemSpiderID = 7710
| InChI = 1/C3H6Br2/c4-2-1-3-5/h1-3H2
| InChIKey = VEFLKXRACNJHOV-UHFFFAOYAK
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C3H6Br2/c4-2-1-3-5/h1-3H2 | StdInChI = 1S/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2/b2-1+
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = VEFLKXRACNJHOV-UHFFFAOYSA-N | StdInChIKey = UOORRWUZONOOLO-OWOJBTEDSA-N
| CASNo_Ref = {{cascite|correct|CAS}} | CASNo_Ref = {{cascite|correct|CAS}}
| CASNo = 109-64-8 | CASNo = 542-75-6
| RTECS = | EINECS = 208-826-5
| EINECSCASNO =
}}
| ChEMBL_Ref = {{ebicite|correct|EBI}}
| ChEMBL = 155926
| PubChem = 24726
| UNII_Ref = {{fdacite|correct|FDA}}
| UNII = 9H780918D0
| SMILES = Cl=CCCl
| InChI = 1/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2/b2-1+
| RTECS = UC8310000
| MeSHName = 1,3-dichloro-1-propene
| ChEBI_Ref = {{ebicite|changed|EBI}}
| ChEBI = 18624
| KEGG_Ref = {{keggcite|correct|kegg}}
| KEGG = C18627
| ATCCode_prefix =
| ATCCode_suffix =
| ATC_Supplemental =}}
| Section2 = {{Chembox Properties | Section2 = {{Chembox Properties
| Formula = C<sub>3</sub>H<sub>6</sub>Br<sub>2</sub> | Formula = C<sub>3</sub>H<sub>4</sub>Cl<sub>2</sub>
| MolarMass = 201.89 g/mol | MolarMass = 110.97 g/mol
| Appearance = Colorless to slightly-yellow liquid | Appearance = Colorless to straw-colored liquid, sweet chloroform-like odor
| Density = 1.98 g/mL, liquid | Density = 1.217 g/mL (cis); 1.224 g/mL (trans)
| MeltingPt = -84.5 °C
| Solubility =
| Melting_notes =
| MeltingPtC = -34
| BoilingPt = 166-167 °C (439 - 440 K) | BoilingPt = 104 °C (cis); 112 °C (trans)
| Viscosity = | Boiling_notes =
| Solubility = 2.18 g/L (cis) @ 25 °C; 2.32 g/L (trans) @ 25 °C
}}
| SolubleOther =
| Solvent =
| LogP = 1.82
| VaporPressure = 34.4 mm Hg @ 25 °C (cis); 23.0 mm Hg @ 25 °C (trans)
| HenryConstant =
| AtmosphericOHRateConstant =
| pKa =
| pKb = }}
| Section3 = {{Chembox Structure | Section3 = {{Chembox Structure
| Dipole = | CrystalStruct =
| Coordination =
}}
| MolShape = }}
| Section4 = {{Chembox Thermochemistry
| DeltaHf =
| DeltaHc =
| Entropy =
| HeatCapacity = }}
| Section5 = {{Chembox Pharmacology
| AdminRoutes =
| Bioavail =
| Metabolism =
| HalfLife =
| ProteinBound =
| Excretion =
| Legal_status =
| Legal_US =
| Legal_UK =
| Legal_AU =
| Legal_CA =
| PregCat =
| PregCat_AU =
| PregCat_US = }}
| Section6 = {{Chembox Explosive
| ShockSens =
| FrictionSens =
| ExplosiveV =
| REFactor = }}
| Section7 = {{Chembox Hazards | Section7 = {{Chembox Hazards
| EUClass = T,N
| GHSPictograms = {{GHSp|GHS02}}{{GHSp|GHS07}}{{GHSp|GHS09}}<ref name="sigma">{{SigmaLink
| EUIndex = 208-826-5
| Productgroup = Fluka
| MainHazards =
| Productcode = 34280
| NFPA-H = 2
| Accessdate = June 10, 2011
| NFPA-F = 3
}}</ref>
| NFPA-R = 0
| HPhrases = {{H-phrases|226|302|315|411}}<ref name="sigma" />
| NFPA-O =
| PPhrases = {{P-phrases|273}}
| RPhrases = 10-20/21-25-36/37/38-43-50/53
| ExternalMSDS =
| SPhrases = (1/2-)-36/37-45-60-61
| MainHazards =
| RSPhrases =
| FlashPt = 56 °C (closed cup)
| FlashPt = 28 °C
| RPhrases = {{R10}} {{R22}} {{R38}} {{R51}} {{R53}}
| Autoignition = > 500 °C
| SPhrases = {{S16}} {{S26}} {{S36}} {{S61}}
| ExploLimits = 5.3% - 14.5% (80 °C)
}}
| PEL = 1}}
| Section8 = {{Chembox Related | Section8 = {{Chembox Related
| Function = | OtherAnions =
| OtherFunctn = | OtherCations =
| OtherCpds = | OtherFunctn =
| Function =
}}
| OtherCpds = }}
}} }}

Revision as of 16:22, 16 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 476917548 of page 1,3-Dichloropropene with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Skeletal formula of the trans isomer
Skeletal formula of the trans isomer
Skeletal formula of the cis isomer
Skeletal formula of the cis isomer
Ball-and-stick model of the trans isomer
Ball-and-stick model of the trans isomer
Ball-and-stick model of the cis isomer
Ball-and-stick model of the cis isomer
Names
IUPAC name 1,3-dichloroprop-1-ene
Systematic IUPAC name 1-Propene, 1,3-dichloro-, (1E)-
Other names 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
Identifiers
CAS Number
3D model (JSmol)
ChEBI
ChEMBL
ChemSpider
EC Number
  • 208-826-5
KEGG
MeSH 1,3-dichloro-1-propene
PubChem CID
RTECS number
  • UC8310000
UNII
InChI
  • InChI=1S/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2/b2-1+Key: UOORRWUZONOOLO-OWOJBTEDSA-N
  • InChI=1/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2/b2-1+Key: UOORRWUZONOOLO-OWOJBTEDBJ
SMILES
  • Cl=CCCl
Properties
Chemical formula C3H4Cl2
Molar mass 110.97 g/mol
Appearance Colorless to straw-colored liquid, sweet chloroform-like odor
Density 1.217 g/mL (cis); 1.224 g/mL (trans)
Melting point -84.5 °C
Boiling point 104 °C (cis); 112 °C (trans)
Solubility in water 2.18 g/L (cis) @ 25 °C; 2.32 g/L (trans) @ 25 °C
log P 1.82
Vapor pressure 34.4 mm Hg @ 25 °C (cis); 23.0 mm Hg @ 25 °C (trans)
Hazards
NFPA 704 (fire diamond)
NFPA 704 four-colored diamondHealth 2: Intense or continued but not chronic exposure could cause temporary incapacitation or possible residual injury. E.g. chloroformFlammability 3: Liquids and solids that can be ignited under almost all ambient temperature conditions. Flash point between 23 and 38 °C (73 and 100 °F). E.g. gasolineInstability 0: Normally stable, even under fire exposure conditions, and is not reactive with water. E.g. liquid nitrogenSpecial hazards (white): no code
2 3 0
Flash point 28 °C
Explosive limits 5.3% - 14.5% (80 °C)
NIOSH (US health exposure limits):
PEL (Permissible) 1
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). ☒N verify (what is  ?) Infobox references
Tracking categories (test):
Chemical compound
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