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Revision as of 15:17, 16 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 464656734 of page 2-Bromopropane for the Chem/Drugbox validation project (updated: '').← Previous edit Revision as of 15:18, 16 February 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 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 = 413108905
| verifiedrevid = 443313615
| Name = 2-bromopropane
| ImageFile = 2-bromopropane.svg | ImageFile = 2-butanol Line-Structure.svg
| ImageFile_Ref = {{chemboximage|correct|??}}
| ImageSize = 90px
| ImageName = 2-bromopropane | ImageName = Skeletal formula of 2-butanol
| 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>
| ImageFileL1 = 2-bromopropane-3D-balls.png
| OtherNames = ''sec''-Butanol{{Citation needed|date = October 2011}}<br />
| ImageSizeL1 = 100px
''sec''-Butyl alcohol{{Citation needed|date = October 2011}}
| ImageNameL1 = Ball-and-stick model of 2-bromopropane
| ImageFileR1 = 2-bromopropane-3D-vdW.png
| ImageSizeR1 = 100px
| ImageNameR1 = Space-filling model of 2-bromopropane
| IUPACName = 2-bromopropane
| OtherNames = isopropyl bromide
| Section1 = {{Chembox Identifiers | Section1 = {{Chembox Identifiers
| SMILES = BrC(C)C | CASNo = 78-92-2
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} | CASNo_Ref = {{cascite|correct|CAS}}
| CASNo1 = 14898-79-4
| ChemSpiderID = 6118
| CASNo1_Comment = <small>(''R'')</small>
| InChI = 1/C3H7Br/c1-3(2)4/h3H,1-2H3
| CASNo2 = 4221-99-2
| InChIKey = NAMYKGVDVNBCFQ-UHFFFAOYAQ
| CASNo2_Comment = <small>(''S'')</small>
| ChEMBL_Ref = {{ebicite|correct|EBI}}
| ChEMBL = 451810 | PubChem = 6568
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} | PubChem_Ref = {{Pubchemcite|correct|Pubchem}}
| PubChem1 = 84682
| StdInChI = 1S/C3H7Br/c1-3(2)4/h3H,1-2H3
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} | PubChem1_Ref = {{Pubchemcite|correct|Pubchem}}
| PubChem1_Comment = <small>(''R'')</small>
| StdInChIKey = NAMYKGVDVNBCFQ-UHFFFAOYSA-N
| CASNo = 75-26-3 | PubChem2 = 444683
| CASNo_Ref = {{cascite|correct|CAS}} | PubChem2_Ref = {{Pubchemcite|correct|Pubchem}}
| PubChem2_Comment = <small>(''S'')</small>
| RTECS = TX4111000
| 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
|C=3|H=7|Br=1
| H = 10
| Appearance = Pale brown to colorless liquid
| Density = 1.31 g/mL, liquid | O = 1
| ExactMass = 74.073164942 g mol<sup>−1</sup>
| Solubility = 0.32 g/100 mL (20 °C)
| Density = 0.808 g cm<sup>−3</sup>
| Solubility1 = ]
| MeltingPtK = 158
| Solvent1 = organic solvents
| RefractIndex = 1.4251 | BoilingPtKL = 371
| MeltingPtC = -90.0 | 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>
| BoilingPtC = 59.4
| MeltingPt = -89°C (184 K) | VaporPressure = 1.67 kPa (at 20 °C)
| BoilingPt = 59°C (332 K) | LogP = 0.683
| Viscosity = 6.106 c] at 0 °C<br/>4.894 c] at 20 °C | RefractIndex = 1.3978 (at 20 °C)
}} }}
| Section3 = {{Chembox Structure | Section3 = {{Chembox Thermochemistry
| DeltaHf = −343.3–−342.1 kJ mol<sup>-1</sup>
| Dipole =
| DeltaHc = −2.6611–−2.6601 MJ mol<sup>−1</sup>
}}
| Entropy = 213.1 J K<sup>-1</sup> mol<sup>−1</sup>
| Section7 = {{Chembox Hazards
| HeatCapacity = 197.1 J K<sup>−1</sup> mol<sup>−1</sup>
| ExternalMSDS =
}}
| MainHazards = Harmful, irritant
| Section4 = {{Chembox Hazards
| FlashPt = 22 °C
| ExternalMSDS =
| NFPA-H = 2
| GHSPictograms = {{GHS flame}} {{GHS exclamation mark}}
| NFPA-F = 3
| GHSSignalWord = '''WARNING'''
| NFPA-R = 0
| HPhrases = {{H-phrases|226|319|335|336}}
| NFPA-O =
| PPhrases = {{P-phrases|261|305+351+338}}
| RPhrases = {{R10}} {{R20}} {{R36}} {{R37}} {{R38}}
| SPhrases = | EUIndex = 603-127-00-5
| EUClass = {{Hazchem Xi}}
}}
| RPhrases = {{R10}}, {{R36/37}}, {{R67}}
| Section8 = {{Chembox Related
| SPhrases = {{S2}}, {{S7/9}}, {{S13}}, {{S24/25}}, {{S26}}, {{S46}}
| Function = ]s
| NFPA-H = 1
| OtherFunctn = ]<br>]<br>]
| 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 15:18, 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
Skeletal formula of 2-butanol
Names
IUPAC name Butan-2-ol
Other names sec-Butanol
sec-Butyl alcohol
Identifiers
CAS Number
3D model (JSmol)
Beilstein Reference 773649

1718764 (R)
1718763 (S)

ChEBI
ChEMBL
ChemSpider
DrugBank
EC Number
  • 201-158-5
Gmelin Reference 1686

396584 (R)
25655 (S)

MeSH 2-butanol
PubChem CID
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 (nD) 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 (ΔfH298) 		−343.3–−342.1 kJ mol
Std enthalpy of
combustion (ΔcH298) 		−2.6611–−2.6601 MJ mol
Hazards
GHS labelling:
Pictograms GHS02: Flammable GHS07: Exclamation mark
Signal word Warning
Hazard statements H226, H319, H335, H336
Precautionary statements P261, P305+P351+P338
NFPA 704 (fire diamond)
NFPA 704 four-colored diamondHealth 1: Exposure would cause irritation but only minor residual injury. E.g. turpentineFlammability 3: Liquids and solids that can be ignited under almost all ambient temperature conditions. Flash point between 23 and 38 °C (73 and 100 °F). E.g. gasolineInstability 0: Normally stable, even under fire exposure conditions, and is not reactive with water. E.g. liquid nitrogenSpecial hazards (white): no code
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). checkY verify (what is  ?) Infobox references
Chemical compound
  1. "2-butanol - Compound Summary". PubChem Compound. USA: National Center for Biotechnology Information. 26 March 2005. Identification and Related Records. Retrieved 12 October 2011.
  2. 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)