α, α, α', α'-Tetrabromo-o-xylene

CAT: 0024-sc-254932Size: 25 gDry Ice: NoHazardous: No

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CAT#:0024-sc-254932Size:25 g

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CAS Number

13209-15-9

Chemical Information

1,2-Bis(dibromomethyl)benzene

CAS Number	13209-15-9
PubChem CID	83234
IUPAC Name	1,2-bis(dibromomethyl)benzene
Molecular Formula	C8H6Br4
Molecular Weight	421.75
XLogP	4.8
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	119

SMILES

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

InChI

InChI=1S/C8H6Br4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4,7-8H

InChIKey

LNAOKZKISWEZNY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 13209-15-9

CID: 83234

Formula: C8H6Br4

MW: 421.75

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	421.75
XLogP3	4.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	2
Exact Mass	421.71620
Monoisotopic Mass	417.72030
Topological Polar Surface Area	0 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	119
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

Catalog	Name
OR1025118-01	α, α, α′, α′-Tetrabromo-O-Xylene
289738-01	A, a, a', a'-Tetrabromo-O-xylene
T02135-01	A, a, a', a'-Tetrabromo-o-xylene 97%
235068-01	A, a, a', a'-Tetrabromo-o-xylene 99+% (HPLC)
BAA59231	±, ±, ±', ±'-Tetrabromo-p-xylene
T02150-01	A, a, a', a'-Tetrabromo-p-xylene
T02140	A, a, a', a'-Tetrabromo-m-xylene 95%
OR1077924	4-Nitro-alpha, alpha, alpha', alpha'-tetrabromo-o-xylene
RM-X620500-01	O-Xylene
419997-01	2,3,5,6-Tetrabromo-p-xylene