Chlorobenzene-13C6

Base Information

• Chemical Name: Chlorobenzene-13C6
• CAS No.: 287389-52-0
• Molecular Formula: C₆H₅Cl
• Molecular Weight: 118.493
• European Community (EC) Number: 685-228-4
• DSSTox Substance ID: DTXSID60583925
• Wikidata: Q82475535
• Mol file: 287389-52-0.mol

Synonyms:Chlorobenzene-13C6;287389-52-0;chloro(1,2,3,4,5,6-13C6)cyclohexatriene;SCHEMBL1330516;1-Chloro(~13~C_6_)benzene;DTXSID60583925;Chlorobenzene-13C6, 99 atom % 13C;J-017234

Chemical Property of Chlorobenzene-13C6

Chemical Property:

• Melting Point: -45 °C(lit.)
• Refractive Index: n20/D 1.524(lit.)
• Boiling Point: 132 °C(lit.)
• Flash Point: 75 °F
• PSA: 0.00000
• Density: 1.164 g/mL at 25 °C
• LogP: 2.34000
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 118.0281069
• Heavy Atom Count: 7
• Complexity: 46.1

Purity/Quality:

98%min ^*data from raw suppliers

Chlorobenzene-13C6 ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn,N
• Statements: 10-20-51/53
• Safety Statements: 24/25-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)Cl
• Isomeric SMILES: [13CH]1=[13CH][13CH]=[13C]([13CH]=[13CH]1)Cl
• Uses: Labelled CHLOROBENZENE-13C6. CHLOROBENZENE-13C6 is a halogenated benzene used in chemical toxicity QSAR research for agricultural pollution.