PBB 10

CAT: 0926-JCA08032-03Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-JCA08032-03Size:100 mg

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CAS Number

59080-32-9

MDL Number

MFCD00152388

Smiles

C1=CC=C (C=C1) C2=C (C=CC=C2Br) Br

Molecular Formula

C12H8Br2

Molecular Weight

312 g/mol

Controlled

Chemical Information

2,6-Dibromobiphenyl

2,6-Dibromobiphenyl is a polybrominated biphenyl. Polybrominated biphenyls (PBBs) are a group of 209 synthetic organic compounds with 1-10 bromine atoms attached to biphenyl. They can be used as flame retardants and may be added to the plastics used to make products like computer monitors, televisions, textiles, and plastic foams to make them difficult to burn. However, the use of PBBs is banned or restricted in most areas due to their toxicity and persistence in the environment. (L628, L629)

CAS Number	59080-32-9
PubChem CID	181210
IUPAC Name	1,3-dibromo-2-phenylbenzene
Molecular Formula	C12H8Br2
Molecular Weight	312.00
XLogP	5.1
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Heavy Atom Count	14
Formal Charge	0
Complexity	165

SMILES

C1=CC=C(C=C1)C2=C(C=CC=C2Br)Br

InChI

InChI=1S/C12H8Br2/c13-10-7-4-8-11(14)12(10)9-5-2-1-3-6-9/h1-8H

InChIKey

KCYUDWBWEGNDFO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 59080-32-9

CID: 181210

Formula: C12H8Br2

MW: 312.00

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	312.00
XLogP3	5.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Exact Mass	311.89723
Monoisotopic Mass	309.89928
Topological Polar Surface Area	0 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	165
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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PBB 10

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