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Revision as of 16:57, 16 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 476909151 of page 2,3,5,7-Tetrahydroxy-1,4-naphthalenedione for the Chem/Drugbox validation project (updated: '').← Previous edit Revision as of 16:57, 16 February 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 471997064 of page 2,3,7,8-Tetrachlorodibenzodioxin 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
| verifiedrevid = 434809584 | verifiedrevid = 443261380
|ImageFile1=Dioxin-2D-skeletal.svg
| ImageFile = Spinochrome B.svg
⚫ |ImageSize1=200px
| ImageSize = 170px
|ImageFile2=Dioxin-3D-vdW.png
| ImageName = Skeletal formula
|ImageSize2=200px
| ImageFile1 = Spinochrome-B-3D-balls.png
|IUPACName=2,3,7,8-tetrachlorodibenzo-dioxin <ref>{{GoldBookRef|title=dioxin|file=D01750}}</ref>
⚫ | ImageSize1 = 170px
|OtherNames=Tetradioxin; Tetrachlorodibenzodioxin; Tetrachlorodibenzo-''p''-dioxin
| ImageName1 = Ball-and-stick model
⚫ |Section1={{Chembox Identifiers
| IUPACName = 1,4,5,7-tetrahydroxynaphthalene-2,3-dione
| Abbreviations = TCDD; TCDBD
| OtherNames =
⚫ | Section1 = {{Chembox Identifiers
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ChEBI_Ref = {{ebicite|correct|EBI}}
⚫ | ChemSpiderID = 14617131
| ChEBI = 28119
| InChI = 1/C10H6O6/c11-3-1-4-6(5(12)2-3)8(14)10(16)9(15)7(4)13/h1-2,11-12,15-16H
⚫ | ChemSpiderID = 14865
⚫ | InChIKey = RWRKDUHFUYRCIT-UHFFFAOYAA
| KEGG_Ref = {{keggcite|correct|kegg}}
| SMILES1 = Oc1cc(O)c2c(c1)C(=O)C(\O)=C(\O)C2=O
| KEGG = C07557
| InChI = 1/C12H4Cl4O2/c13-5-1-9-10(2-6(5)14)18-12-4-8(16)7(15)3-11(12)17-9/h1-4H
⚫ | InChIKey = HGUFODBRKLSHSI-UHFFFAOYAA
| ChEMBL_Ref = {{ebicite|correct|EBI}}
| ChEMBL = 30327
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C10H6O6/c11-3-1-4-6(5(12)2-3)8(14)10(16)9(15)7(4)13/h1-2,11-12,15-16H | StdInChI = 1S/C12H4Cl4O2/c13-5-1-9-10(2-6(5)14)18-12-4-8(16)7(15)3-11(12)17-9/h1-4H
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = RWRKDUHFUYRCIT-UHFFFAOYSA-N | StdInChIKey = HGUFODBRKLSHSI-UHFFFAOYSA-N
| CASNo_Ref = {{cascite|correct|??}} | CASNo_Ref = {{cascite|correct|CAS}}
| CASNo = | CASNo=1746-01-6
| PubChem = 324101 | PubChem=15625
| SMILES = O=C(C1=C2C(O)=CC(O)=C1)C(O)=C(O)C2=O }} | SMILES = Clc2cc1Oc3c(Oc1cc2Cl)cc(Cl)c(Cl)c3
}}
| Section2 = {{Chembox Properties |Section2={{Chembox Properties
| Formula = C<sub>10</sub>H<sub>6</sub>O<sub>6</sub> | Formula=C<sub>12</sub>H<sub>4</sub>Cl<sub>4</sub>O<sub>2</sub>
| MolarMass = 222.15 g/mol | MolarMass=321.97 g/mol
| Appearance =
| Density = | Appearance=
| Density = 1.8 g cm<sup>−3</sup>
| MeltingPt =
| BoilingPt = | MeltingPtC = 305
| BoilingPt=
| Solubility = }}
| Solubility=0.2 µg/L at 25&nbsp;°C<ref>{{cite journal|doi=10.1021/es00171a006|author=Shiu WY ''et al''|title=Physical-chemical properties of chlorinated dibenzo-p-dioxins|journal=Environ Sci Technol|volume= 22|pages=651|year=1988}}</ref>
⚫ | Section3 = {{Chembox Hazards
| MainHazards = | LogP = 6.8
| VaporPressure = 1.5 &times; 10<sup>−9</sup> mmHg
⚫ | FlashPt =
}}
⚫ | Autoignition = }}
⚫ |Section3={{Chembox Hazards
| NFPA-H = 4
| NFPA-F = 1
| NFPA-R = 0
| NFPA-O =
| MainHazards=
⚫ | FlashPt= 164.2&nbsp;°C
⚫ | Autoignition=
}}
}} }}

Revision as of 16:57, 16 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 471997064 of page 2,3,7,8-Tetrachlorodibenzodioxin with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names
IUPAC name 2,3,7,8-tetrachlorodibenzo-dioxin
Other names Tetradioxin; Tetrachlorodibenzodioxin; Tetrachlorodibenzo-p-dioxin
Identifiers
CAS Number
3D model (JSmol)
Abbreviations TCDD; TCDBD
ChEBI
ChEMBL
ChemSpider
KEGG
PubChem CID
InChI
  • InChI=1S/C12H4Cl4O2/c13-5-1-9-10(2-6(5)14)18-12-4-8(16)7(15)3-11(12)17-9/h1-4HKey: HGUFODBRKLSHSI-UHFFFAOYSA-N
  • InChI=1/C12H4Cl4O2/c13-5-1-9-10(2-6(5)14)18-12-4-8(16)7(15)3-11(12)17-9/h1-4HKey: HGUFODBRKLSHSI-UHFFFAOYAA
SMILES
  • Clc2cc1Oc3c(Oc1cc2Cl)cc(Cl)c(Cl)c3
Properties
Chemical formula C12H4Cl4O2
Molar mass 321.97 g/mol
Density 1.8 g cm
Melting point 305 °C (581 °F; 578 K)
Solubility in water 0.2 µg/L at 25 °C
log P 6.8
Vapor pressure 1.5 × 10 mmHg
Hazards
NFPA 704 (fire diamond)
NFPA 704 four-colored diamondHealth 4: Very short exposure could cause death or major residual injury. E.g. VX gasFlammability 1: Must be pre-heated before ignition can occur. Flash point over 93 °C (200 °F). E.g. canola oilInstability 0: Normally stable, even under fire exposure conditions, and is not reactive with water. E.g. liquid nitrogenSpecial hazards (white): no code
4 1 0
Flash point 164.2 °C
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
  1. IUPAC, Compendium of Chemical Terminology, 2nd ed. (the "Gold Book") (1997). Online corrected version: (2006–) "dioxin". doi:10.1351/goldbook.D01750
  2. Shiu WY; et al. (1988). "Physical-chemical properties of chlorinated dibenzo-p-dioxins". Environ Sci Technol. 22: 651. doi:10.1021/es00171a006. {{cite journal}}: Explicit use of et al. in: |author= (help)