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

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Revision as of 15:14, 6 December 2011 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{chembox}} taken from revid 464377212 of page Isopentane for the Chem/Drugbox validation project (updated: '').← Previous edit		Revision as of 15:17, 6 December 2011 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{chembox}} taken from revid 445026462 of page Pumiliotoxin_251D for the Chem/Drugbox validation project (updated: 'ChEBI', 'ChemSpiderID', 'ChEMBL', 'StdInChI', 'StdInChIKey'...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 = ~~443886500~~		\| verifiedrevid = 408971376
			\|ImageFile=Pumiliotoxin251D.png
	\| Name = Isopentane
		⚫	\|ImageSize=200px
	\| ImageFile = 2-methylbutane-2D-skeletal.svg
			\|IUPACName=(8''R'',8a''S'')-8-methyl-6--1,2,3,5,7,8a-hexahydroindolizine-8-ol
⚫	\| ImageSize = ~~140px~~
			\|OtherNames=Pumiliotoxin 251D
	\| ImageName = Isopentane
		⚫	\|Section1={{Chembox Identifiers
	\| ImageFile1 = Isopentane-3D-balls.png
		⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| ImageSize1 = 140px
		⚫	\| ChemSpiderID = 390923
	\| ImageName1 = Isopentane
			\| InChI = 1/C16H29NO/c1-4-5-7-13(2)10-14-11-16(3,18)15-8-6-9-17(15)12-14/h10,13,15,18H,4-9,11-12H2,1-3H3/b14-10-/t13-,15+,16+/m1/s1
	\| IUPACName = 2-Methylbutane
			\| InChIKey = OKTQTXDNHCOLHT-AJKPHIATBP
	\| OtherNames = Methylbutane
		⚫	\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}
⚫	\| Section1 = {{Chembox Identifiers
			\| ChEMBL = <!-- blanked - oldvalue: 358960 -->
⚫	\| ~~ChEBI_Ref~~ = {{ebicite\|correct\|EBI}}
⚫	\| ChEBI = ~~30362~~
	\| SMILES = CC(C)CC
⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
⚫	\| ChemSpiderID = ~~6308~~
	\| UNII_Ref = {{fdacite\|correct\|FDA}}
	\| UNII = ZH67814I0O
	\| InChI = 1/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3
	\| InChIKey = QWTDNUCVQCZILF-UHFFFAOYAE
	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChI = 1S/~~C5H12~~/c1-~~4-5~~(2)3/~~h5H~~,~~4H2~~,1-3H3		\| StdInChI = 1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8H,4-6H2,1-3H3/t8-/m1/s1
	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChIKey = ~~QWTDNUCVQCZILF~~-~~UHFFFAOYSA~~-N		\| StdInChIKey = NZGWDASTMWDZIW-MRVPVSSYSA-N
	\| CASNo = 78-78-4		\| CASNo = 89-82-7
		⚫	\| ChEBI = 35596
	\| CASNo_Ref = {{cascite\|correct\|CAS}}
	\| ~~RTECS~~ = ~~EK4430000~~		\| PubChem = 6440480
			\| SMILES = O1(CC(=C\(C)CCCC)\CN21CCC2)C
		⚫	}}
			\|Section2={{Chembox Properties
			\| C=16 \| H=29 \| N=1 \| O=1
		⚫	\| Appearance=
			\| Density=
			\| MeltingPt=
			\| BoilingPt=
		⚫	\| Solubility=
	}}		}}
	\| ~~Section2~~ = {{Chembox ~~Properties~~		\|Section3={{Chembox Hazards
			\| MainHazards=Toxic
	\| Formula = C<sub>5</sub>H<sub>12</sub>
			\| FlashPt=
	\| MolarMass = 72.15 g/mol
		⚫	\| Autoignition=
⚫	\| Appearance = ~~colorless liquid~~
	\| Density = 0.616 g/ml, liquid<ref name="Wei"/>
⚫	\| Solubility = ~~Immiscible~~
	\| MeltingPt = −159.9 °C (113.3 K)<ref name="Wei"/>
	\| BoilingPt = 27.7 °C (300.9 K)<ref name="Wei">
	James Wei (1999), ''Molecular Symmetry, Rotational Entropy, and Elevated Melting Points''. Ind. Eng. Chem. Res., volume 38 issue 12, pp. 5019–5027 {{doi:10.1021/ie990588m}}
	</ref>
⚫	}}
	\| Section4 = {{Chembox Thermochemistry
	\| DeltaHf = −179 kJ/mol
	\| DeltaHc = −3504 kJ/mol
	\| Entropy = 260.7 J·K<sup>−1</sup>·mol<sup>−1</sup>
	}}
	\| Section7 = {{Chembox Hazards
	\| ExternalMSDS =
	\| EUClass = Highly flammable ('''F+''')<br />Harmful ('''Xn''')<br />Dangerous for<br />the environment ('''N''')
	\| NFPA-H = 1
	\| NFPA-F = 4
	\| NFPA-R =
	\| RPhrases = {{R12}}, {{R51/53}}, {{R65}},<br />{{R66}}, {{R67}}
	\| SPhrases = {{S2}}, {{S9}}, {{S16}}, {{S29}},<br />{{S33}}, {{S61}}, {{S62}}
	\| FlashPt = <−51 °C
⚫	\| Autoignition = ~~420 °C~~
	\| ExploLimits = 1.4–7.6%
	}}
	\| Section8 = {{Chembox Related
	\| Function = ]
	\| OtherFunctn = ]<br />]<br />]
	\| OtherCpds = ]<br />]
	}}		}}
	}}		}}

Revision as of 15:17, 6 December 2011

This page contains a copy of the infobox ({{chembox}}) taken from revid 445026462 of page Pumiliotoxin_251D with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names

IUPAC name (8R,8aS)-8-methyl-6--1,2,3,5,7,8a-hexahydroindolizine-8-ol
Other names Pumiliotoxin 251D
Identifiers
CAS Number	89-82-7
3D model (JSmol)	Interactive image
ChEBI	CHEBI:35596
ChemSpider	390923
PubChem CID	6440480
InChI InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8H,4-6H2,1-3H3/t8-/m1/s1Key: NZGWDASTMWDZIW-MRVPVSSYSA-N InChI=1/C16H29NO/c1-4-5-7-13(2)10-14-11-16(3,18)15-8-6-9-17(15)12-14/h10,13,15,18H,4-9,11-12H2,1-3H3/b14-10-/t13-,15+,16+/m1/s1Key: OKTQTXDNHCOLHT-AJKPHIATBP
SMILES O1(CC(=C\(C)CCCC)\CN21CCC2)C
Properties
Chemical formula	C₁₆H₂₉NO
Molar mass	251.414 g·mol
Hazards
Occupational safety and health (OHS/OSH):
Main hazards	Toxic
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