1-(Bromomethyl)-4-(difluoromethyl)benzene

HCID 57589907

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 873373-34-3
Standard SMILES: FC(F)c1ccc(CBr)cc1
InChIKey: MVSMLXCLMRPXFA-UHFFFAOYSA-N
Molecular formula: C8H7BrF2
Average molar mass: 221.04 g/mol
Monoisotopic mass: 219.96992

Names & identifiers

Preferred name: 1-(Bromomethyl)-4-(difluoromethyl)benzene
IUPAC: 1-(bromomethyl)-4-(difluoromethyl)benzene
English name: Benzene, 1-(bromomethyl)-4-(difluoromethyl)-
Molecular formula: C8H7BrF2
Molecular weight: 221.04

Names & synonyms

1-(bromomethyl)-4-(difluoromethyl)benzene873373-34-3RefChem:427309883-681-44-(Difluoromethyl)benzyl bromideMFCD18791603C8H7BrF21-bromomethyl-4-difluoromethyl-benzeneSCHEMBL3388795YJB37334AKOS017549574PS-10018

Show more names

1-(bromethyl)-4-(difluoromethyl)benzene1-(BROMOMETHYL)-4-(DIFLUOROMETHYL)BENZENE - [B93715]

EN300-1084873Benzene, 1-(bromomethyl)-4-(difluoromethyl)-AM805846YQF1383SY1249521-(bromomethyl)-4- (difluoromethyl)benzeneDB-126645F469338

Database identifiers

CAS: 873373-34-3
PubChem CID: 57589907
EC Number: 883-681-4
Nikkaji: J2.652.110F

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 109

Physicochemical properties

Boiling point: 229 · 229.0±35.0 °C(Predicted)
Density: 1.504 · 1.504±0.06 g/cm3(Predicted)
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P405-P501
HS Code: 2903998090 · 2903998090

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

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

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

hs_code: 2903998090
Signal word: Danger
Symbol(GHS): GHS05
Hazard statements: H314
Precautionary statements: P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P405-P501