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Revision as of 13:25, 24 November 2011 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 457106706 of page N-Methyltryptamine for the Chem/Drugbox validation project (updated: 'CAS_number').← Previous edit Revision as of 13:26, 24 November 2011 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 442344275 of page N-Propyl_chloride for the Chem/Drugbox validation project (updated: 'ChEMBL').Next edit →
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{{ambox | text = This page contains a copy of the infobox ({{tl|drugbox}}) 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.}}
{{Drugbox {{chembox
⚫ | verifiedrevid = 400395670
| Verifiedfields = changed
| Name = ''n''-Propyl chloride
⚫ | verifiedrevid = 415855795
| ImageFile1 = N-propylChloridel-2D-skeletal.png
| IUPAC_name = 2-(1H-Indol-3-yl)-''N''-methylethanamine
| ImageSize1 = 150px
| image = Methyltryptamine.png
| width = 140 | ImageName1 =
| ImageFile = n-propylChloride.png
| drug_name = ''N''-Methyltryptamine
| ImageSize =200px

| ImageName =
<!--Clinical data-->
| IUPACName = 1-chloropropane
| tradename =
| OtherNames = chloromethylethane, propyl chloride, 1-propyl chloride

<!--Identifiers--> | Section1 = {{Chembox Identifiers
| ChEMBL = 15697
| CAS_number_Ref = {{cascite|correct|??}}
⚫ | PubChem = 10899
| CAS_number = <!-- blanked - oldvalue: 61-49-4 -->
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
⚫ | PubChem = 6088
| ChemSpiderID = 10437
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ChemSpiderID = 5863 | SMILES = ClCCC
| KEGG_Ref = {{keggcite|correct|kegg}} | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C3H7Cl/c1-2-3-4/h2-3H2,1H3
| KEGG = C06213
⚫ | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| ChEBI_Ref = {{ebicite|changed|EBI}}
⚫ | StdInChIKey = SNMVRZFUUCLYTO-UHFFFAOYSA-N
| ChEBI = 28136
| ChEMBL_Ref = {{ebicite|correct|EBI}} | CASNo_Ref = {{cascite}}
| ChEMBL = 348588 | CASNo = 540-54-5
| RTECS =

}}
<!--Chemical data-->
| Section2 = {{Chembox Properties
| C=11 | H=14 | N=2
| Formula = C<sub>3</sub>H<sub>7</sub>Cl
| molecular_weight = 174.245 g/mol
| MolarMass = 78.54
| smiles = c1cccc2c1c(cn2)CCNC
| Appearance = Colorless liquid
| InChI = 1/C11H14N2/c1-12-7-6-9-8-13-11-5-3-2-4-10(9)11/h2-5,8,12-13H,6-7H2,1H3
| Density = 0.890
| InChIKey = NCIKQJBVUNUXLW-UHFFFAOYAC
| Solubility = 0.27 g/100 ml at 20 °C
| StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| Solubility1 = fully ]
| StdInChI = 1S/C11H14N2/c1-12-7-6-9-8-13-11-5-3-2-4-10(9)11/h2-5,8,12-13H,6-7H2,1H3
| Solvent1 = ethanol
⚫ | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| Solubility2 = fully ]
⚫ | StdInChIKey = NCIKQJBVUNUXLW-UHFFFAOYSA-N
| Solvent2 = diethyl ether
| melting_point = 87
| RefractIndex = 1.3886
| melting_high = 89
| MeltingPtC = -122.8
| BoilingPtC = 46.7
| pKa =
| Viscosity = 4.416 c] at 0 °C<br/>3.589 c] at 20 °C
| Dipole =
}}
| Section7 = {{Chembox Hazards
| ExternalMSDS =
| MainHazards = Extremely flammable liquid and vapor. Vapor may cause flash fire. Harmful if swallowed or inhaled. May be harmful if absorbed through skin. Affects central nervious system. Causes irritation to skin, eyes and respiratory tract.
| FlashPt = -18 °C
| NFPA-H = 2
| NFPA-F = 3
| NFPA-R = 0
| NFPA-O =
| RPhrases = {{R11}} {{R20}} {{R21}} {{R22}}
| SPhrases = {{S9}} {{S16}} {{S26}} {{S29}} {{S36}}
}}
| Section8 = {{Chembox Related
| Function = ]s
| OtherFunctn = ]<br>]<br>]}}
}} }}

Revision as of 13:26, 24 November 2011

This page contains a copy of the infobox ({{chembox}}) taken from revid 442344275 of page N-Propyl_chloride with values updated to verified values.
n-Propyl chloride
File:N-propylChloridel-2D-skeletal.png
Names
IUPAC name 1-chloropropane
Other names chloromethylethane, propyl chloride, 1-propyl chloride
Identifiers
CAS Number
3D model (JSmol)
ChEMBL
ChemSpider
PubChem CID
InChI
  • InChI=1S/C3H7Cl/c1-2-3-4/h2-3H2,1H3Key: SNMVRZFUUCLYTO-UHFFFAOYSA-N
SMILES
  • ClCCC
Properties
Chemical formula C3H7Cl
Molar mass 78.54
Appearance Colorless liquid
Density 0.890
Melting point −122.8 °C (−189.0 °F; 150.3 K)
Boiling point 46.7 °C (116.1 °F; 319.8 K)
Solubility in water 0.27 g/100 ml at 20 °C
Solubility in ethanol fully miscible
Solubility in diethyl ether fully miscible
Refractive index (nD) 1.3886
Viscosity 4.416 cP at 0 °C
3.589 cP at 20 °C
Hazards
Occupational safety and health (OHS/OSH):
Main hazards Extremely flammable liquid and vapor. Vapor may cause flash fire. Harmful if swallowed or inhaled. May be harmful if absorbed through skin. Affects central nervious system. Causes irritation to skin, eyes and respiratory tract.
NFPA 704 (fire diamond)
NFPA 704 four-colored diamondHealth 2: Intense or continued but not chronic exposure could cause temporary incapacitation or possible residual injury. E.g. chloroformFlammability 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
2 3 0
Flash point -18 °C
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
Tracking categories (test):
Chemical compound