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Revision as of 16:34, 16 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 456497782 of page 1-Benzyl-4-(2-(diphenylmethoxy)ethyl)piperidine for the Chem/Drugbox validation project (updated: 'CASNo').← Previous edit Revision as of 16:35, 16 February 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 466554021 of page 1-Bromobutane 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 = 412502577
| Verifiedfields = changed
| Name = 1-Bromobutane
⚫ | verifiedrevid = 456496907
| ImageFile_Ref = {{chemboximage|correct|??}}
| ImageFile = 1-Benzyl-4-(2-(diphenylmethoxy)ethyl)piperidine.png
| ImageFile = 1-Butyl bromide.svg
| ImageSize = 200px
| ImageAlt = | ImageSize = 200px
| ImageName = Structural formula of 1-bromobutane
| IUPACName = 1-Benzyl-4-piperidine
| ImageFile1 = 1-bromobutane-3D-balls.png
⚫ | OtherNames =
| ImageSize1 = 220px
| ImageName1 = Ball-and-stick model
| IUPACName = 1-Bromobutane
⚫ | OtherNames = Butyl bromide
| Section1 = {{Chembox Identifiers | Section1 = {{Chembox Identifiers
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| CASNo = <!-- blanked - oldvalue: 174643-75-5 -->
⚫ | ChemSpiderID = 7711
⚫ | CASNo_Ref = {{cascite|changed|??}}
| PubChem = 8002
| SMILES = O(C(c1ccccc1)c2ccccc2)CCC4CCN(Cc3ccccc3)CC4
| InChI = 1/C4H9Br/c1-2-3-4-5/h2-4H2,1H3
| InChI = 1/C27H31NO/c1-4-10-24(11-5-1)22-28-19-16-23(17-20-28)18-21-29-27(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,23,27H,16-22H2
| InChIKey = WRSJONWBAYSODC-UHFFFAOYAC | InChIKey = MPPPKRYCTPRNTB-UHFFFAOYAX
| ChEMBL_Ref = {{ebicite|correct|EBI}} | ChEMBL_Ref = {{ebicite|correct|EBI}}
| ChEMBL = 338733 | ChEMBL = 160949
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C27H31NO/c1-4-10-24(11-5-1)22-28-19-16-23(17-20-28)18-21-29-27(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,23,27H,16-22H2 | StdInChI = 1S/C4H9Br/c1-2-3-4-5/h2-4H2,1H3
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = WRSJONWBAYSODC-UHFFFAOYSA-N | StdInChIKey = MPPPKRYCTPRNTB-UHFFFAOYSA-N
⚫ | CASNo_Ref = {{cascite|correct|CAS}}
| PubChem = 9952105
| CASNo = 109-65-9
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| SMILES = BrCCCC
⚫ | ChemSpiderID = 8127716
}} }}
| Section2 = {{Chembox Properties | Section2 = {{Chembox Properties
| C = 27 | H = 31 | N = 1 | O = 1 | C=4|H=9|Br=1
| Density = 1.2686&nbsp;g&nbsp;cm<sup>&minus;3</sup>, liquid
| Appearance =
| Density = | MeltingPtC = -112
| MeltingPt = | BoilingPtC = 101.4
}}
| BoilingPt =
⚫ | Section7 = {{Chembox Hazards
| Solubility = }}
| ExternalMSDS = }}
⚫ | Section3 = {{Chembox Hazards
| MainHazards =
| FlashPt =
| Autoignition = }}
}} }}

Revision as of 16:35, 16 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 466554021 of page 1-Bromobutane with values updated to verified values.
1-Bromobutane
Structural formula of 1-bromobutane
Ball-and-stick model
Names
IUPAC name 1-Bromobutane
Other names Butyl bromide
Identifiers
CAS Number
3D model (JSmol)
ChEMBL
ChemSpider
PubChem CID
InChI
  • InChI=1S/C4H9Br/c1-2-3-4-5/h2-4H2,1H3Key: MPPPKRYCTPRNTB-UHFFFAOYSA-N
  • InChI=1/C4H9Br/c1-2-3-4-5/h2-4H2,1H3Key: MPPPKRYCTPRNTB-UHFFFAOYAX
SMILES
  • BrCCCC
Properties
Chemical formula C4H9Br
Molar mass 137.020 g·mol
Density 1.2686 g cm, liquid
Melting point −112 °C (−170 °F; 161 K)
Boiling point 101.4 °C (214.5 °F; 374.5 K)
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