3-Bromobiphenyl

CAT: 0572-TRC-B680555-25GSize: 25 gDry Ice: NoHazardous: Yes

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CAT#:0572-TRC-B680555-25GSize:25 g

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CAS Number

2113-57-7

Hazard Statement

Causes skin irritation; UN number: UN3151; Packing Group: II

Smiles

Brc1cccc(c1)c2ccccc2

Molecular Formula

C12 H9 Br

Molecular Weight

233.1

InChI

InChI=1S/C12H9Br/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H

Additionnal Information

IUPAC name: 1-bromo-3-phenylbenzene

Shipping Conditions

Room Temperature

Storage Conditions

+4°C

Chemical Information

3-Bromobiphenyl

3-bromobiphenyl is a clear yellow viscous liquid. Insoluble in water. (NTP, 1992)

CAS Number	2113-57-7
PubChem CID	16449
IUPAC Name	1-bromo-3-phenylbenzene
Molecular Formula	C12H9Br
Molecular Weight	233.10
XLogP	4.6
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	149

SMILES

C1=CC=C(C=C1)C2=CC(=CC=C2)Br

InChI

InChI=1S/C12H9Br/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H

InChIKey

USYQKCQEVBFJRP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2113-57-7

CID: 16449

Formula: C12H9Br

MW: 233.10

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	233.10
XLogP3	4.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Exact Mass	231.98876
Monoisotopic Mass	231.98876
Topological Polar Surface Area	0 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	149
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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3-Bromobiphenyl

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