4-Bromo-1-(bromomethyl)-2-(trifluoromethyl)benzene

HCID 53418031

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Basic information

CAS: 335013-18-8
Standard SMILES: FC(F)(F)c1cc(Br)ccc1CBr
InChIKey: KYIYLQNLZYNVQY-UHFFFAOYSA-N
Molecular formula: C8H5Br2F3
Average molar mass: 317.93 g/mol
Monoisotopic mass: 315.87100902

Names & identifiers

Preferred name: 4-Bromo-1-(bromomethyl)-2-(trifluoromethyl)benzene
IUPAC: 4-bromo-1-(bromomethyl)-2-(trifluoromethyl)benzene
English name: 4-broMo-1-(broMoMethyl)-2-(trifluoroMethyl)benzene
Molecular formula: C8H5Br2F3
Molecular weight: 317.93

Names & synonyms

4-BROMO-1-(BROMOMETHYL)-2-(TRIFLUOROMETHYL)BENZENE335013-18-8DTXSID00697373RefChem:290448DTXCID406481224-bromo-2-(trifluoromethyl)benzyl bromideMFCD131854144-BROMO-2-TRIFLUOROMETHYLBENZYL BROMIDEC8H5Br2F3Benzene, 4-bromo-1-(bromomethyl)-2-(trifluoromethyl)-SCHEMBL195156CL87

Show more names

4-Bromo-2-(trifluoromethyl)benzyl bromide 95%4-bromo-1-(bromomethyl)-2-(trifluoromethyl)benzene, 95%min

SCHEMBL29452391CL8722AKOS014097514AS-46087SY102756DB-3400634-bromo-1-bromomethyl-2-trifluoromethylbenzene4-Bromo-1-bromomethyl-2-trifluoromethyl-benzene

Database identifiers

CAS: 335013-18-8
PubChem CID: 53418031
DTXSID: DTXSID00697373
EC Number: 980-514-8
Nikkaji: J3.782.413E

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: 239.4 · 239.4±35.0 °C(Predicted)
Density: 1.885 · 1.885±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: liquid
color: Colorless
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HS Code: 2902900000 · 2902900000

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.