Hexabromobenzene

C₆Br₆CAS 87-82-1551.49 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆Br₆
Molar mass: 551.49 g/mol
Exact mass: 545.5100 Da
Melting point: 327 °C
Water solubility: insoluble
logP: 6.26Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled88.6% of notifiers
H302 Harmful if swallowed88.6% of notifiers
H312 Harmful in contact with skin88.6% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled88.6% of notifiers
H335 May cause respiratory irritation97.7% of notifiers
H413 May cause long lasting harmful effects to aquatic life88.6% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

87-82-1

SMILES

Brc1c(Br)c(Br)c(Br)c(Br)c1Br

InChIKey

CAYGQBVSOZLICD-UHFFFAOYSA-N

InChI

InChI=1S/C6Br6/c7-1-2(8)4(10)6(12)5(11)3(1)9

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

12 names

Benzene, 1,2,3,4,5,6-hexabromo-
Benzene, hexabromo-
1,2,3,4,5,6-Hexabromobenzene
Perbromobenzene
HBB
AFR 1001
FR-B
Plasafety HBB
HBB-S
NSC 113975
HBB (flame retardant)
HBB-b

Reactions

PREPARATION OF HEXAKIS(4-BROMOPHENYL)BENZENE (HBB) (1,1':2',1"-Terphenyl, 4,4"-dibromo-3',4',5',6'-tetrakis(4-bromophenyl)-)product

Work with Hexabromobenzene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Decabromodiphenyl ether1163-19-550 % similar Pentabromophenol608-71-950 % similar Decabromodiphenylethane84852-53-950 % similar Pentabromotoluene87-83-250 % similar 1,4-Dibromo-2,3,5,6-tetrafluorobenzene344-03-645 % similar 1,4-Dibromo-2,3,5,6-tetramethylbenzene1646-54-442 % similar 2,3,5,6-Tetrabromo-p-xylene23488-38-242 % similar 2,3,5,6-Tetrabromo-1,4-benzenediol2641-89-642 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia