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Revision as of 12:03, 6 December 2011 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 457372542 of page Pyrene for the Chem/Drugbox validation project (updated: '').← Previous edit Revision as of 12:03, 6 December 2011 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 456124326 of page Pyridazine for the Chem/Drugbox validation project (updated: '').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 | Verifiedfields = changed
| verifiedrevid = 414436804 | verifiedrevid = 408973982
| ImageFileL1_Ref = {{chemboximage|correct|??}}
| Name = Pyrene
| ImageFileL1=Pyridazine numbering.png
| ImageFile = Pyrene.svg
|ImageSizeL1=75px
| ImageSize = 190px
|ImageFileR1=Pyridazine3d.png
| ImageFile1 = Pyrene-3D-balls.png
|ImageSizeR1=100px
| ImageSize1 = 190px
| IUPACName = pyrene |IUPACName=Pyridazine
| OtherNames = benzophenanthrene |OtherNames=1,2-diazine, orthodiazine, oizine
| Section1 = {{Chembox Identifiers |Section1= {{Chembox Identifiers
| ChEBI_Ref = {{ebicite|changed|EBI}} | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ChEBI = 39106 | ChemSpiderID = 8902
| InChI = 1/C4H4N2/c1-2-4-6-5-3-1/h1-4H
| SMILES = c1cc2ccc3cccc4c3c2c(c1)cc4
| InChIKey = PBMFSQRYOILNGV-UHFFFAOYAA
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ChemSpiderID = 29153
| PubChem = 31423
| KEGG_Ref = {{keggcite|correct|kegg}}
| KEGG = C14335
| InChI = 1/C16H10/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-10H
| InChIKey = BBEAQIROQSPTKN-UHFFFAOYAB
| ChEMBL_Ref = {{ebicite|correct|EBI}} | ChEMBL_Ref = {{ebicite|correct|EBI}}
| ChEMBL = 279564 | ChEMBL = 15719
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C16H10/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-10H | StdInChI = 1S/C4H4N2/c1-2-4-6-5-3-1/h1-4H
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = BBEAQIROQSPTKN-UHFFFAOYSA-N | StdInChIKey = PBMFSQRYOILNGV-UHFFFAOYSA-N
| CASNo_Ref = {{cascite|correct|CAS}} | CASNo_Ref = {{cascite|correct|CAS}}
| CASNo = 129-00-0 | CASNo=289-80-5
| RTECS = UR2450000 | PubChem = 9259
| ChEBI_Ref = {{ebicite|changed|EBI}}
| ChEBI = 30954
| SMILES = c1ccnnc1
| RTECS=GY2390000
}} }}
| Section2 = {{Chembox Properties |Section2= {{Chembox Properties
| Formula=| C=4 | H=4 | N=2
| Formula = {{carbon}}<sub>16</sub>{{hydrogen}}<sub>10</sub>
| MolarMass = 202.25 g/mol | MolarMass=80.09 g/mol
| Appearance = colorless solid | Appearance=colorless liquid
⚫ | Density=1.107 g/cm<sup>3</sup>
(yellow impurities are often found at trace levels in many samples).
| MeltingPtC=-8
⚫ | Density = 1.271 g/ml
| BoilingPtC=208
| Solubility = 0.135 mg/l | Solubility=
| MeltingPt = 145-148 °C (418-421 K)
| pKa = 2.10<ref>Brown, H.C., et al., in Baude, E.A. and Nachod, F.C., ''Determination of Organic Structures by Physical Methods'', Academic Press, New York, 1955.</ref>
| BoilingPt = 404 °C (677 K)
⚫ | pKb =
}} }}
| Section3 = {{Chembox Structure |Section3= {{Chembox Hazards
⚫ | MainHazards=
| CrystalStruct =
| Dipole = | FlashPt=
| Autoignition=
}}
| Section7 = {{Chembox Hazards
| ExternalMSDS =
⚫ | MainHazards = irritant
⚫ | NFPA-H = 2
| NFPA-F = 1
| NFPA-R =
| FlashPt = non-flammable
| RPhrases = 36/37/38-45-53
| SPhrases = 24/25-26-36
}} }}
| Section8 = {{Chembox Related | Section8 = {{Chembox Related
| OtherCpds = ], ], ]
| Function = PAHs
| OtherFunctn = ]
}} }}
}} }}

Revision as of 12:03, 6 December 2011

This page contains a copy of the infobox ({{chembox}}) taken from revid 456124326 of page Pyridazine with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
File:Pyridazine numbering.png
Names
IUPAC name Pyridazine
Other names 1,2-diazine, orthodiazine, oizine
Identifiers
CAS Number
3D model (JSmol)
ChEBI
ChEMBL
ChemSpider
PubChem CID
RTECS number
  • GY2390000
InChI
  • InChI=1S/C4H4N2/c1-2-4-6-5-3-1/h1-4HKey: PBMFSQRYOILNGV-UHFFFAOYSA-N
  • InChI=1/C4H4N2/c1-2-4-6-5-3-1/h1-4HKey: PBMFSQRYOILNGV-UHFFFAOYAA
SMILES
  • c1ccnnc1
Properties
Chemical formula C4H4N2
Molar mass 80.09 g/mol
Appearance colorless liquid
Density 1.107 g/cm
Melting point −8 °C (18 °F; 265 K)
Boiling point 208 °C (406 °F; 481 K)
Acidity (pKa) 2.10
Related compounds
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
  1. Brown, H.C., et al., in Baude, E.A. and Nachod, F.C., Determination of Organic Structures by Physical Methods, Academic Press, New York, 1955.