CAS 23488-38-2 | Benzene, 1,2,4,5-tetrabromo-3,6-dimethyl- | CAS Number 23488-38-2

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23488-38-2 | Benzene, 1,2,4,5-tetrabromo-3,6-dimethyl-

CAS No: 23488-38-2 Catalog No: AG002NDY MDL No:MFCD00010353

Product Description

Catalog Number:

AG002NDY

Chemical Name:

Benzene, 1,2,4,5-tetrabromo-3,6-dimethyl-

CAS Number:

23488-38-2

Molecular Formula:

C8H6Br4

Molecular Weight:

421.7492

MDL Number:

MFCD00010353

IUPAC Name:

1,2,4,5-tetrabromo-3,6-dimethylbenzene

InChI:

InChI=1S/C8H6Br4/c1-3-5(9)7(11)4(2)8(12)6(3)10/h1-2H3

InChI Key:

RXKOKVQKECXYOT-UHFFFAOYSA-N

SMILES:

Cc1c(Br)c(Br)c(c(c1Br)Br)C

EC Number:

245-688-5

Properties

Complexity:

127

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

421.716g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

421.752g/mol

Monoisotopic Mass:

417.72g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

0A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.4

Literature

Title	Journal
Bromobenzene flame retardants in the Great Lakes atmosphere.	Environmental science & technology 20120821
Optimization and development of analytical methods for the determination of new brominated flame retardants and polybrominated diphenyl ethers in sediments and suspended particulate matter.	Analytical and bioanalytical chemistry 20110501