CAS 875664-32-7 1-Bromo-2-(bromomethyl)-4-(trifluoromethyl)benzene (HCID 2756249)

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Basic information

CAS: 875664-32-7
Standard SMILES: FC(F)(F)c1ccc(Br)c(CBr)c1
InChIKey: TXJHPBWTPBYLFP-UHFFFAOYSA-N
Molecular formula: C8H5Br2F3
Average molar mass: 317.93 g/mol

Names & identifiers

Preferred name: 1-Bromo-2-(bromomethyl)-4-(trifluoromethyl)benzene
IUPAC: 1-bromo-2-(bromomethyl)-4-(trifluoromethyl)benzene
English name: 2-Bromo-5-(trifluoromethyl)benzyl bromide
Molecular formula: C8H5Br2F3
Molecular weight: 317.93

Names & synonyms

886496-63-51-bromo-2-(bromomethyl)-4-(trifluoromethyl)benzeneRefChem:430218805-502-02-Bromo-5-(trifluoromethyl)benzyl bromide875664-32-72-bromo-5-trifluoromethylbenzyl bromideMFCD049737622-BROMO-5-TRIFLUOROMETHYL-BENZYLBROMIDE1-Bromo-2-(bromomethyl)-4-(1,1-dimethylethyl)-benzeneSCHEMBL475304SCHEMBL29382636

Show more names

Benzene, 1-bromo-2-(bromomethyl)-4-(trifluoromethyl)-

AKOS005258010AS-35491DA-29700DB-024320EN300-3102901F0137921-Bromo-2-(bromomethyl)-4-(trifluoromethyl)benzene, 4-Bromo-3-(bromomethyl)benzotrifluoride

Database identifiers

CAS: 875664-32-7、886496-63-5
PubChem CID: 2756249
EC Number: 642-533-7、805-502-0

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 169

Physicochemical properties

Boiling point: 259 ℃ · 259℃
Density: 1.885 · 1.885
Flash point: 110 ℃ · 110℃
form: liquid
color: Clear, colourless
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 314 · H314-H315-H319-H335
Precautionary statements: 233 · P233-P260-P261-P264-P271-P280-P301+P330+P331-P302+P352-P303+P361+P353-P304-P304+P340-P305+P351+P338-P310-P312-P321-P332+P313-P337+P313-P340-P362-P363-P403-P403+P233-P405-P501
HS Code: 2903998090 · 2903998090

Safety & regulation

GHS classification

GHS Classification · 6 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P337+P317, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

Hazard information

Hazard Classes and Categories · 2 items

Skin Corr. 1B (100%)

Acute Tox. 4 (50%)

Safety data

hs_code: 2903998090
Signal word: Danger
Symbol(GHS): GHS05,GHS07
Hazard statements: H314-H315-H319-H335
Precautionary statements: P233-P260-P261-P264-P271-P280-P301+P330+P331-P302+P352-P303+P361+P353-P304-P304+P340-P305+P351+P338-P310-P312-P321-P332+P313-P337+P313-P340-P362-P363-P403-P403+P233-P405-P501