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

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Revision as of 17:15, 16 February 2012 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,071 edits Saving copy of the {{chembox}} taken from revid 403355873 of page 2-Bromohexane for the Chem/Drugbox validation project (updated: 'CASNo').← Previous edit		Revision as of 17:15, 16 February 2012 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,071 edits Saving copy of the {{chembox}} taken from revid 465128313 of page 2-Butanol 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
			\| Watchedfields = changed
	\| verifiedrevid = 399296290
			\| verifiedrevid = 443313615
	\| Name = 2-Bromohexane
	\| ImageFile = 2-~~Bromohexane~~.~~png~~		\| ImageFile = 2-butanol Line-Structure.svg
			\| ImageFile_Ref = {{chemboximage\|correct\|??}}
	\| ImageSizeL1 = 200px
			\| ImageName = Skeletal formula of 2-butanol
	\| IUPACName = 2-bromohexane
			\| IUPACName = Butan-2-ol<ref>{{Cite web\|title = 2-butanol - Compound Summary\|url = http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6568\|work = PubChem Compound\|publisher = National Center for Biotechnology Information\|accessdate = 12 October 2011\|location = USA\|date = 26 March 2005\|at = Identification and Related Records}}</ref>
	\| OtherNames = 2-hexyl bromide
			\| OtherNames = ''sec''-Butanol{{Citation needed\|date = October 2011}}<br />
			''sec''-Butyl alcohol{{Citation needed\|date = October 2011}}
	\| Section1 = {{Chembox Identifiers		\| Section1 = {{Chembox Identifiers
	\| ~~SMILES~~ = ~~BrC(C)CCCC~~		\| CASNo = 78-92-2
			\| CASNo_Ref = {{cascite\|correct\|CAS}}
	\| InChI = 1/C6H13Br/c1-3-4-5-6(2)7/h6H,3-5H2,1-2H3
			\| CASNo1 = 14898-79-4
	\| InChIKey = NEBYCXAKZCQWAW-UHFFFAOYAX
			\| CASNo1_Comment = <small>(''R'')</small>
	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
			\| CASNo2 = 4221-99-2
	\| StdInChI = 1S/C6H13Br/c1-3-4-5-6(2)7/h6H,3-5H2,1-2H3
			\| CASNo2_Comment = <small>(''S'')</small>
	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
			\| PubChem = 6568
	\| StdInChIKey = NEBYCXAKZCQWAW-UHFFFAOYSA-N
			\| PubChem_Ref = {{Pubchemcite\|correct\|Pubchem}}
	\| CASNo = <!-- blanked - oldvalue: 3377-86-4 -->
			\| PubChem1 = 84682
	\| CASNo_Ref = {{cascite\|??\|??}}
	\| ~~ChemSpiderID_Ref~~ = {{~~chemspidercite~~\|correct\|~~chemspider~~}}		\| PubChem1_Ref = {{Pubchemcite\|correct\|Pubchem}}
			\| PubChem1_Comment = <small>(''R'')</small>
	\| ChemSpiderID = 17757
	\| ~~RTECS~~ =		\| PubChem2 = 444683
			\| PubChem2_Ref = {{Pubchemcite\|correct\|Pubchem}}
	}}
			\| PubChem2_Comment = <small>(''S'')</small>
			\| ChemSpiderID = 6320
			\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
			\| ChemSpiderID1 = 76392
			\| ChemSpiderID1_Ref = {{chemspidercite\|correct\|chemspider}}
			\| ChemSpiderID1_Comment = <small>(''R'')</small>
			\| ChemSpiderID2 = 392543
			\| ChemSpiderID2_Ref = {{chemspidercite\|correct\|chemspider}}
			\| ChemSpiderID2_Comment = <small>(''S'')</small>
			\| EINECS = 201-158-5
			\| UNNumber = 1120
			\| DrugBank = DB02606
			\| DrugBank_Ref = {{drugbankcite\|correct\|drugbank}}
			\| MeSHName = 2-butanol
			\| ChEBI = 35687
			\| ChEBI_Ref = {{ebicite\|correct\|EBI}}
			\| ChEMBL = 45462
			\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}
			\| RTECS = EO1750000
			\| Beilstein = 773649<br />
			1718764 <small>(''R'')</small><br />
			1718763 <small>(''S'')</small>
			\| Gmelin = 1686<br />
			396584 <small>(''R'')</small><br />
			25655 <small>(''S'')</small>
			\| SMILES = CCC(C)O
			\| StdInChI = 1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3
			\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
			\| StdInChIKey = BTANRVKWQNVYAZ-UHFFFAOYSA-N
			\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
			}}
	\| Section2 = {{Chembox Properties		\| Section2 = {{Chembox Properties
			\| C = 4
	\| Formula = C<sub>6</sub>H<sub>13</sub>Br
			\| H = 10
	\| MolarMass = 165.071 g/mol
			\| O = 1
	\| Appearance = colorless liquid
	\| ~~Density~~ = 1.~~1891~~ g~~/cm~~<sup>3</sup>		\| ExactMass = 74.073164942 g mol<sup>−1</sup>
			\| Density = 0.808 g cm<sup>−3</sup>
	\| Solubility = ]
	\| ~~MeltingPt~~ =		\| MeltingPtK = 158
	\| ~~BoilingPtC~~ = ~~143~~		\| BoilingPtKL = 371
	\| ~~pKa~~ =		\| BoilingPtKH = 373
			\| Solubility = 290 g dm<sup>−3</sup><ref name = "Journal of Chemical Education">{{Cite journal\|last = Alger\|first = Donald B.\|title = The water solubility of 2-butanol: A widespread error\|journal = Journal of Chemical Education\|year = 1991\|month = November\|volume = 68\|issue = 11\|doi = 10.1021/ed068p939.1\|url = http://pubs.acs.org/doi/abs/10.1021/ed068p939.1\|accessdate = 12 October 2011\|page = 939\|publisher = ACS Publications\|location = USA}}</ref>
	\| Viscosity =
			\| VaporPressure = 1.67 kPa (at 20 °C)
	\| Dipole =
			\| LogP = 0.683
	}}
			\| RefractIndex = 1.3978 (at 20 °C)
	\| Section7 = {{Chembox Hazards
			}}
	\| FlashPt = 47 °C
			\| Section3 = {{Chembox Thermochemistry
	\| EUClass =
			\| DeltaHf = −343.3–−342.1 kJ mol<sup>-1</sup>
	\| NFPA-H =
			\| DeltaHc = −2.6611–−2.6601 MJ mol<sup>−1</sup>
	\| NFPA-F =
			\| Entropy = 213.1 J K<sup>-1</sup> mol<sup>−1</sup>
	\| NFPA-R =
			\| HeatCapacity = 197.1 J K<sup>−1</sup> mol<sup>−1</sup>
	\| RPhrases =
			}}
	\| SPhrases =
			\| Section4 = {{Chembox Hazards
	}}
			\| ExternalMSDS =
	\| Section8 = {{Chembox Related
			\| GHSPictograms = {{GHS flame}} {{GHS exclamation mark}}
	\| OtherFunctn =
			\| GHSSignalWord = '''WARNING'''
	\| Function = ]s
			\| HPhrases = {{H-phrases\|226\|319\|335\|336}}
	\| OtherCpds =
			\| PPhrases = {{P-phrases\|261\|305+351+338}}
	}}
			\| EUIndex = 603-127-00-5
			\| EUClass = {{Hazchem Xi}}
			\| RPhrases = {{R10}}, {{R36/37}}, {{R67}}
			\| SPhrases = {{S2}}, {{S7/9}}, {{S13}}, {{S24/25}}, {{S26}}, {{S46}}
			\| NFPA-H = 1
			\| NFPA-F = 3
			\| NFPA-R = 0
			\| FlashPt = 22–27 °C
			\| Autoignition = 405 °C
			\| ExploLimits = 1.7–9.8%
			}}
			\| Section5 = {{Chembox Related
			\| Function = ]s
			\| OtherFunctn = ]<br/>]<br/>]
			\| OtherCpds = ]
			}}
	}}		}}

Revision as of 17:15, 16 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 465128313 of page 2-Butanol with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names
Skeletal formula of 2-butanol
IUPAC name Butan-2-ol
Other names sec-Butanol sec-Butyl alcohol
Identifiers
CAS Number	78-92-2 14898-79-4 (R) 4221-99-2 (S)
3D model (JSmol)	Interactive image
Beilstein Reference	773649 1718764 (R) 1718763 (S)
ChEBI	CHEBI:35687
ChEMBL	ChEMBL45462
ChemSpider	6320 76392 (R) 392543 (S)
DrugBank	DB02606
EC Number	201-158-5
Gmelin Reference	1686 396584 (R) 25655 (S)
MeSH	2-butanol
PubChem CID	6568 84682 (R) 444683 (S)
RTECS number	EO1750000
UN number	1120
InChI InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3Key: BTANRVKWQNVYAZ-UHFFFAOYSA-N
SMILES CCC(C)O
Properties
Chemical formula	C₄H₁₀O
Molar mass	74.123 g·mol
Density	0.808 g cm
Melting point	−115 °C; −175 °F; 158 K
Solubility in water	290 g dm
log P	0.683
Vapor pressure	1.67 kPa (at 20 °C)
Refractive index (n_D)	1.3978 (at 20 °C)
Thermochemistry
Heat capacity (C)	197.1 J K mol
Std molar entropy (S₂₉₈)	213.1 J K mol
Std enthalpy of formation (Δ_fH₂₉₈)	−343.3–−342.1 kJ mol
Std enthalpy of combustion (Δ_cH₂₉₈)	−2.6611–−2.6601 MJ mol
Hazards
GHS labelling:
Pictograms
Signal word	Warning
Hazard statements	H226, H319, H335, H336
Precautionary statements	P261, P305+P351+P338
NFPA 704 (fire diamond)	1 3 0
Flash point	22–27 °C
Explosive limits	1.7–9.8%
Related compounds
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). Y verify (what is ?) Infobox references

Chemical compound

"2-butanol - Compound Summary". PubChem Compound. USA: National Center for Biotechnology Information. 26 March 2005. Identification and Related Records. Retrieved 12 October 2011.
Alger, Donald B. (1991). "The water solubility of 2-butanol: A widespread error". Journal of Chemical Education. 68 (11). USA: ACS Publications: 939. doi:10.1021/ed068p939.1. Retrieved 12 October 2011. {{cite journal}}: Unknown parameter |month= ignored (help)