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3-Chlorobiphenyl

CAT: 0572-TRC-C364943-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C364943-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2051-61-8
Synonyms
1,1'-Biphenyl, 3-chloro-; Biphenyl, 3-chloro- (6CI,7CI,8CI); 3-Chloro-1,1'-biphenyl; 1-Chloro-3-phenylbenzene; 3-Chlorobiphenyl; 3-Chlorodiphenyl; 3-Monochlorobiphenyl; PCB 2; m-Chlorobiphenyl; 3-MonoCB
Hazard Statement
Very toxic to aquatic life; UN number: UN3432; Packing Group: II
Purity
>95% (HPLC)
Smiles
Clc1cccc(c1)c2ccccc2
Molecular Formula
C12 H9 Cl
Molecular Weight
188.65
InChI
InChI=1S/C12H9Cl/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H
Additionnal Information
IUPAC name: 1-chloro-3-phenylbenzene
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

3-Chlorobiphenyl

3-chlorobiphenyl is a monochlorobiphenyl.

CAS Number2051-61-8
PubChem CID16322
IUPAC Name1-chloro-3-phenylbenzene
Molecular FormulaC12H9Cl
Molecular Weight188.65
XLogP4.6
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity149
SMILES
C1=CC=C(C=C1)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C12H9Cl/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H
InChIKey
NMWSKOLWZZWHPL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Chlorobiphenyl
CAS: 2051-61-8
CID: 16322
Formula: C12H9Cl
MW: 188.65
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight188.65
XLogP34.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Exact Mass188.0392780
Monoisotopic Mass188.0392780
Topological Polar Surface Area0 Ų
Heavy Atom Count13
Formal Charge0
Complexity149
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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