1-(1-Bromoethyl)-3,5-bis(trifluoromethyl)benzene

HCID 12947397

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Basic information

CAS: 160376-84-1
Standard SMILES: CC(Br)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIKey: JSJHYPQTIIFNIO-UHFFFAOYSA-N
Molecular formula: C10H7BrF6
Average molar mass: 321.06 g/mol
Monoisotopic mass: 319.96353164

Names & identifiers

Preferred name: 1-(1-Bromoethyl)-3,5-bis(trifluoromethyl)benzene
IUPAC: 1-(1-bromoethyl)-3,5-bis(trifluoromethyl)benzene
English name: 1-(1-broMoethyl)-3,5-bis-trifluoroMethyl-benzene
Molecular formula: C10H7BrF6
Molecular weight: 321.06

Names & synonyms

160376-84-11-(1-bromoethyl)-3,5-bis(trifluoromethyl)benzeneDTXSID40513649RefChem:222414DTXCID504644563,5-Bis(trifluoromethyl)-alpha-methylbenzyl bromideBenzene, 1-(1-bromoethyl)-3,5-bis(trifluoromethyl)-1-(1-bromoethyl)-3,5-bis-trifluoromethyl-benzeneMFCD18762083C10H7BrF61-[(1S)-1-bromoethyl]-3,5-bis(trifluoromethyl)benzeneSCHEMBL264836

Show more names

KGA37684AKOS006244007JS-5266DA-09700EN300-76755G193021-(1-bromoethyl) 3,5-bis-trifluoromethyl-benzene1-(3,5-bis(trifluoromethyl)phenyl)-1-bromoethane

Database identifiers

CAS: 160376-84-1
PubChem CID: 12947397
DTXSID: DTXSID40513649
EC Number: 983-935-5
Nikkaji: J836.075H

Properties

Computed structural properties

XLogP: 4.6
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 1
Heavy atoms: 17
Formal charge: 0
Complexity: 237

Physicochemical properties

Boiling point: 181.4 · 181.4±35.0 °C(Predicted)
Density: 1.58 · 1.580±0.06 g/cm3(Predicted)
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 260 · P260-P280-P301+P330+P331-P303+P361+P353
HS Code: 2903998090 · 2903998090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, 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.