3-(Chloromethyl)-1,1'-biphenyl

HCID 15480892

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Basic information

CAS: 38580-82-4
Standard SMILES: ClCc1cccc(-c2ccccc2)c1
InChIKey: YKRYFMJQINAEOO-UHFFFAOYSA-N
Molecular formula: C13H11Cl
Average molar mass: 202.68 g/mol
Monoisotopic mass: 202.05492803

Names & identifiers

Preferred name: 3-(Chloromethyl)-1,1'-biphenyl
IUPAC: 1-(chloromethyl)-3-phenylbenzene
English name: 1,1'-Biphenyl, 3-(chloromethyl)-
Molecular formula: C13H11Cl
Molecular weight: 202.68

Names & synonyms

3-(Chloromethyl)-1,1'-biphenyl38580-82-43-(chloromethyl)biphenyl1-(CHLOROMETHYL)-3-PHENYLBENZENEMFCD086698431,1'-Biphenyl, 3-(chloromethyl)-3-chloromethylbiphenylSCHEMBL1745429DTXSID705731751-(chloromethyl)-3-phenyl-benzeneDB-069703D78637

Show more names

3-biphenylylmethyl chloride

Database identifiers

CAS: 38580-82-4
PubChem CID: 15480892
DTXSID: DTXSID70573175

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 161

Physicochemical properties

Boiling point: 317.6 · 317.6±11.0 °C(Predicted)
Density: 1.111 · 1.111±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 301 · H301-H311-H331
Precautionary statements: 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501

Safety & regulation

Safety data

Signal word: Danger
Symbol(GHS): GHS06
Hazard statements: H301-H311-H331
Precautionary statements: P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501