Misplaced Pages:WikiProject Chemicals/Chembox validation/VerifiedDataSandbox: Difference between revisions

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Revision as of 16:26, 16 February 2012 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 456618337 of page 1,4,7-Trithiacyclononane for the Chem/Drugbox validation project (updated: 'CASNo').← Previous edit		Revision as of 16:26, 16 February 2012 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 442490963 of page 1,4-Benzodioxine 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
			\| Watchedfields = changed
	\| verifiedrevid = ~~399186764~~		\| verifiedrevid = 414707259
	\| ImageFile = ~~9-ane~~-S3.svg		\| ImageFile = 1,4-Benzodioxine.svg
⚫	\| ImageSize =
		⚫	\| ImageFile_Ref = {{chemboximage\|correct\|??}}
	\| IUPACName = 1,4,7-Trithionane
		⚫	\| ImageSize = 121
	\| OtherNames = 1,4,7-Trithiacyclononane, Triethylene trisulfide, 9-ane-S3, aneS<sub>3</sub>
			\| ImageName = Kekulé, skeletal formula of 1,4-benzodioxine
			\| SystematicName = 1,4-Benzodioxine<ref>{{Cite web\|url = http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=136071&loc=ec_rcs\|title = 1,4-Benzodioxin - PubChem Public Chemical Database\|work = The PubChem Project\|location = USA\|publisher = National Center for Biotechnology Information\|at = Descriptors Computed from Structure}}</ref>
	\| Section1 = {{Chembox Identifiers		\| Section1 = {{Chembox Identifiers
		⚫	\| CASNo = <!-- blanked - oldvalue: 255-37-8 -->
⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| ~~ChemSpiderID~~ = ~~331656~~		\| PubChem = 136071
			\| PubChem_Ref = {{Pubchemcite\|correct\|pubchem}}
⚫	\| InChI = 1/~~C6H12S3~~/c1-2-8-~~5-6~~-9-4-3-7-1/h1-~~6H2~~
			\| ChemSpiderID = 119848
	\| InChIKey = PQNPKQVPJAHPSB-UHFFFAOYAS
		⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| SMILES1 = S1CCSCCSCC1
		⚫	\| SMILES = O1C=COc2ccccc12
⚫	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
			\| SMILES1 = O1C=COC2=CC=CC=C12
	\| StdInChI = 1S/~~C6H12S3~~/c1-2-8-~~5-6~~-9-4-3-7-1/h1-~~6H2~~		\| StdInChI = 1S/C8H6O2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-6H
⚫	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
		⚫	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
⚫	\| StdInChIKey = ~~PQNPKQVPJAHPSB~~-UHFFFAOYSA-N
		⚫	\| InChI = 1/C8H6O2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-6H
⚫	\| ~~CASNo_Ref~~ = {{~~cascite~~\|correct\|??}}
		⚫	\| StdInChIKey = HPARLNRMYDSBNO-UHFFFAOYSA-N
⚫	\| CASNo = <!-- blanked - oldvalue: ~~6573~~-11-1 -->
		⚫	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| PubChem = 373835
			\| InChIKey = HPARLNRMYDSBNO-UHFFFAOYAC
⚫	\| SMILES = ~~C1CSCCSCCS1~~
		⚫	}}
	\| ChEBI_Ref = {{ebicite\|correct\|EBI}}
	\| ChEBI = 37418
⚫	}}
	\| Section2 = {{Chembox Properties		\| Section2 = {{Chembox Properties
			\| C = 8
	\| Formula = C<sub>6</sub>H<sub>12</sub>S<sub>3</sub>
	\| ~~MolarMass~~ = ~~180.35 g/mol~~		\| H = 6
			\| O = 2
	\| Appearance = Colourless solid
			\| ExactMass = 134.036779436 g mol<sup>-1</sup>
	\| Density =
	\| ~~MeltingPt~~ = 78 - ~~81 °C~~		\| Density = 1.201 g cm<sup>-3</sup>
	\| ~~BoilingPt~~ = ~~Decomp.~~		\| BoilingPtK = 466
	\| ~~Solubility~~ = ~~Insoluble~~		\| LogP = 1.00
			\| VaporPressure = 183 Pa
	\| SolubleOther = ]s, ]
	}}		}}
	\| ~~Section7~~ = {{Chembox Hazards		\| Section3 = {{Chembox Hazards
		⚫	\| FlashPt = 63
	\| MainHazards = Toxic ('''T''')
		⚫	}}
	\| RPhrases = {{R36/37/38}}
	\| SPhrases = {{S26}}, {{S36}}
⚫	\| FlashPt =
	\| Autoignition =
⚫	}}
	\| Section8 = {{Chembox Related
	\| OtherAnions =
	\| OtherCations =
	\| OtherFunctn =
	\| Function =
	\| OtherCpds = ], ], ]
	}}
	}}		}}

Revision as of 16:26, 16 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 442490963 of page 1,4-Benzodioxine with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names

Systematic IUPAC name 1,4-Benzodioxine
Identifiers
3D model (JSmol)	Interactive image Interactive image
ChemSpider	119848
PubChem CID	136071
InChI InChI=1S/C8H6O2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-6HKey: HPARLNRMYDSBNO-UHFFFAOYSA-N InChI=1/C8H6O2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-6HKey: HPARLNRMYDSBNO-UHFFFAOYAC
SMILES O1C=COc2ccccc12 O1C=COC2=CC=CC=C12
Properties
Chemical formula	C₈H₆O₂
Molar mass	134.134 g·mol
Density	1.201 g cm
Boiling point	193 °C; 379 °F; 466 K
log P	1.00
Vapor pressure	183 Pa
Hazards
Flash point	63
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). Y verify (what is ?) Infobox references

Tracking categories (test):

SizeSet

Chemical compound

"1,4-Benzodioxin - PubChem Public Chemical Database". The PubChem Project. USA: National Center for Biotechnology Information. Descriptors Computed from Structure.