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Revision as of 19:48, 16 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 476023192 of page Acetaldehyde for the Chem/Drugbox validation project (updated: '').← Previous edit Revision as of 19:48, 16 February 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 467602783 of page Acetaldehyde_ammonia_trimer for the Chem/Drugbox validation project (updated: 'CASNo').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
| verifiedrevid = 464364251 | verifiedrevid = 440043898
| ImageFileR1 = Acetaldehyde-tall-2D-skeletal.png | ImageFile = Acetaldehyde ammonia trimer.svg
| ImageSizeR1 = 75px | ImageSize = 180px
| IUPACName = Hexahydro-2,4,6-trimethyl-1,3,5-triazine
| ImageNameR1 = Skeletal structure of acetaldehyde
| ImageFileL2 = Acetaldehyde-3D-balls.png | OtherNames = Acetaldehyde ammonia trimer
| ImageSizeL2 = 125px
| ImageNameL2 = Ball-and-stick model
| ImageFileL1 = Acetaldehyde-2D-flat.png
| ImageNameL1 = Lewis structure of acetaldehyde
| ImageSizeL1 = 132px
| ImageFileR2 = Acetaldehyde-3D-vdW.png
| ImageNameR2 = Space-filling model
| IUPACName = ethanal
| SystemicName = ethanal
| OtherNames=Acetic Aldehyde<br>Ethyl Aldehyde<ref>SciFinderScholar (accessed Nov 4, 2009). Acetaldehyde (75-07-0) Substance Detail.</ref>
| Section1 = {{Chembox Identifiers | Section1 = {{Chembox Identifiers
| Abbreviations =
| ChEBI_Ref = {{ebicite|correct|EBI}}
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ChEBI = 15343
| SMILES = O=CC | ChemSpiderID = 62692
⚫ | InChI = 1/C6H15N3/c1-4-7-5(2)9-6(3)8-4/h4-9H,1-3H3
| PubChem = 177
| InChIKey = MZSSRMMSFLVKPK-UHFFFAOYAJ
| UNII_Ref = {{fdacite|correct|FDA}}
| SMILES = N1C(NC(NC1C)C)C
| UNII = GO1N1ZPR3B
| KEGG_Ref = {{keggcite|correct|kegg}}
| KEGG = C00084
⚫ | InChI = 1/C2H4O/c1-2-3/h2H,1H3
| InChIKey = IKHGUXGNUITLKF-UHFFFAOYAB
| SMILES1 = CC=O
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C2H4O/c1-2-3/h2H,1H3 | StdInChI = 1S/C6H15N3/c1-4-7-5(2)9-6(3)8-4/h4-9H,1-3H3
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = IKHGUXGNUITLKF-UHFFFAOYSA-N | StdInChIKey = MZSSRMMSFLVKPK-UHFFFAOYSA-N
| ChEMBL_Ref = {{ebicite|correct|EBI}} | CASNo_Ref = {{cascite|correct|??}}
| CASNo = <!-- blanked - oldvalue: 58052-80-5 -->
| ChEMBL = 170365
| CASNo = 75-07-0 | EINECS =
| InChI =
| CASNo_Ref = {{cascite|correct|CAS}}
| EINECS = 200-836-8 | RTECS = }}
| RTECS = AB1925000
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ChemSpiderID=172
}}
| Section2 = {{Chembox Properties | Section2 = {{Chembox Properties
| C=2|H=4|O=1 | C=6|H=15|N=3
| Appearance = Colourless liquid<br />Pungent, fruity odor | Appearance = Colorless crystals
| Density = 0.788 g cm<sup>−3</sup> | Density =
| MeltingPtCL = 95
| Solubility = soluble in all proportions
| MelitngPtCH = 97
| MeltingPtC = −123.5
| BoilingPtC = 20.2 | BoilingPt =
| Solubility =
| Viscosity = ~0.215 at 20 °C
| SolubleOther = polar organic solvents

| Solvent =
}}
| pKa = }}
| Section3 = {{Chembox Structure
| MolShape = trigonal planar (sp²) at C<sub>1</sub><br />tetrahedral (sp³) at C<sub>2</sub>
| Dipole = 2.7 ]
}}
| Section4 = {{Chembox Thermochemistry
| DeltaHf = −166&nbsp;kJ·mol<sup>−1</sup>
| Entropy = 250&nbsp;J·mol<sup>−1</sup>·K<sup>−1</sup>
}}
| Section7 = {{Chembox Hazards | Section7 = {{Chembox Hazards
| EUClass =
| GHSPictograms = {{GHSp|GHS02}}{{GHSp|GHS07}}{{GHSp|GHS08}}<ref name="sigma">{{SigmaLink
| Productgroup = Fluka | EUIndex =
| Productcode = 00070 | MainHazards =
⚫ | NFPA-H =
| Accessdate = May 26, 2011
| NFPA-F =
}}</ref>
| NFPA-R =
| HPhrases = {{H-phrases|224|319|335|351}}<ref name="sigma" />
| NFPA-O =
| PPhrases = {{P-phrases|210|261|281|305+351+338}}<ref name="sigma" />
⚫ | RPhrases = {{R36/37/38}}
| EUClass = Very flammable ('''F+''')<br />Harmful ('''Xn''')<br />]
| NFPA-H = 2 | SPhrases =
26
⚫ | NFPA-F = 4
| NFPA-R = 2 | RSPhrases =
| FlashPt =
⚫ | RPhrases = {{R12}} {{R36/37}} {{R40}}
| PEL = }}
| SPhrases = {{S2}} {{S16}} {{S33}} {{S36/37}}
| FlashPt = 234,15 K (-39 °C)
| Autoignition = 458,15 K (185 °C)
}}
| Section8 = {{Chembox Related
| Function = ]s
| OtherFunctn = ]<br /> ]
| OtherCpds = ]
}}
}} }}

Revision as of 19:48, 16 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 467602783 of page Acetaldehyde_ammonia_trimer with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names
IUPAC name Hexahydro-2,4,6-trimethyl-1,3,5-triazine
Other names Acetaldehyde ammonia trimer
Identifiers
3D model (JSmol)
ChemSpider
InChI
  • InChI=1S/C6H15N3/c1-4-7-5(2)9-6(3)8-4/h4-9H,1-3H3Key: MZSSRMMSFLVKPK-UHFFFAOYSA-N
  • Key: MZSSRMMSFLVKPK-UHFFFAOYAJ
SMILES
  • N1C(NC(NC1C)C)C
Properties
Chemical formula C6H15N3
Molar mass 129.207 g·mol
Appearance Colorless crystals
Solubility polar organic solvents
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). checkY verify (what is  ?) Infobox references
Tracking categories (test):
Chemical compound