Tribromobisphenol A - CAS 6386-73-8

Catalog:	BB050408
Product Name:	Tribromobisphenol A
CAS:	6386-73-8
Synonyms:	TribromobisphenolA

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	2,6-dibromo-4-[2-(3-bromo-4-hydroxyphenyl)propan-2-yl]phenol
Description:	Tribromobisphenol A (CAS# 6386-73-8 ) is a useful research chemical.
Molecular Weight:	464.97
Molecular Formula:	C15H13Br3O2
Canonical SMILES:	CC(C)(C1=CC(=C(C=C1)O)Br)C2=CC(=C(C(=C2)Br)O)Br
InChI:	InChI=1S/C15H13Br3O2/c1-15(2,8-3-4-13(19)10(16)5-8)9-6-11(17)14(20)12(18)7-9/h3-7,19-20H,1-2H3
InChI Key:	WYBOEVJIVYIEJL-UHFFFAOYSA-N
Density:	1.873 g/cu cm

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Related Functional Groups

Arenes

[58287-18-6]
(1R)-1-(4-Nitrophenyl)ethanol
[751-38-2]
1,2,3,4-Tetraphenylnaphthalene
[1011396-69-2]
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine
[843673-72-3]
(R)-4-(1-((tert-Butoxycarbonyl)amino)-2-hydroxyethyl)phenyl trifluoromethanesulfonate
[127107-31-7]
1-Phenyl-1H-pyrazol-4-amine hydrochloride
[610-74-2]
2,5-diaminobenzoic acid

Halides

[1448610-48-7]
1-(4-Bromo-3-methylphenyl)cyclobutanol
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[444581-46-8]
1-Bromo-2-(1,1-difluoroethyl)benzene
[4860-03-1]
1-Chlorohexadecane
[111-85-3]
1-Chlorooctane

GHS Hazard Statement:	H351 (92.86%): Suspected of causing cancer [Warning Carcinogenicity]; H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]; H411 (92.86%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement:	P203, P273, P280, P318, P391, P405, and P501
Signal Word:	Warning

Complexity:	325
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	463.84452
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	461.84657
Rotatable Bond Count:	2
Topological Polar Surface Area:	40.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	6.1