1-(Bromomethyl)-2,3,4-trifluorobenzene

HCID 2777050CAS 157911-55-2

Substructure search Find similar structures

Basic information

Standard SMILES: Fc1ccc(CBr)c(F)c1F
InChIKey: DGSXDQVPGXFOAN-UHFFFAOYSA-N
Molecular formula: C7H4BrF3
Average molar mass: 225.01 g/mol
Monoisotopic mass: 223.94484689

Names & identifiers

Preferred name: 1-(Bromomethyl)-2,3,4-trifluorobenzene
IUPAC: 1-(bromomethyl)-2,3,4-trifluorobenzene
English name: 2,3,4-Trifluorobenzyl bromide
Molecular formula: C7H4BrF3
Molecular weight: 225.01

Names & synonyms

1-(Bromomethyl)-2,3,4-trifluorobenzeneRefChem:427201624-279-92,3,4-Trifluorobenzyl bromide157911-55-2BENZENE, 1-(BROMOMETHYL)-2,3,4-TRIFLUORO-MFCD00061233SCHEMBL489658DTXSID603803502,3,4-Trifluorobenzyl bromide, 97%AKOS015854309PS-9839

Show more names

à-bromo-2,3,4-trifluorotoluene2,3,4-Trifluorobenzylbromide97%2,3,4-Trifluorobenzyl bromide 97%2,3,4-Trifluorobenzyl bromide ISO 9001：2015 REACH

EN300-20063674-(bromomethyl)-1,2,3-trifluorobenzene6-(Bromomethyl)-1,2,3-trifluorobenzeneALPHA-BROMO-2,3,4-TRIFLUOROTOLUENE1-(bromomethyl)-2,3,4-trifluoro-benzeneBC0027982,3,4-TrifluorobenzyA3473

Database identifiers

CAS: 157911-55-2
PubChem CID: 2777050
DTXSID: DTXSID60380350
EC Number: 624-279-9

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 131

Physicochemical properties

Boiling point: 191.4 · 191.4±35.0 °C(Predicted)
Density: 1.71 g/mL · 1.710 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.5070(lit.)
Flash point: 195 °F · 195 °F
storage temp.: 2 · Inert atmosphere,2-8°C
form: Liquid
color: Clear colorless to pale yellow
Sensitive: Lachrymatory
BRN: 8762822 · 8762822
InChI: InChI=1S/C7H4BrF3/c8-3-4-1-2-5(9)7(11)6(4)10/h1-2H,3H2
InChIKey: DGSXDQVPGXFOAN-UHFFFAOYSA-N
SMILES: C1(CBr)=CC=C(F)C(F)=C1F
CAS DataBase Reference: 157911 · 157911-55-2(CAS DataBase Reference)
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314-H227-H318
Precautionary statements: 210 e-P260h-P303+P361+P353-P405-P501a-P280-P305+P351+P338-P310 · P210e-P260h-P303+P361+P353-P405-P501a-P280-P305+P351+P338-P310
Hazard Codes: C
Risk Statements: 34 · 34
Safety Statements: 26 · 26-27-36/37/39-45
RIDADR: 3265 · UN 3265 8/PG 2
WGK Germany: 3 · 3
Hazard Note: Corrosive/Lachrymatory
TSCA: T
HazardClass: 8 · 8
PackingGroup: II
HS Code: 29039990 · 29039990
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 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)

Aggregated GHS information provided per 47 reports by companies from 5 notifications to the ECHA C&L Inventory.

Hazard information

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

Safety data

wgk: 3
tsca: T
ridadr: UN 3265 8/PG 2
hs_code: 29039990
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
hazard_note: Corrosive/Lachrymatory
safety_code: 26-27-36/37/39-45
hazard_class: 8
packing_group: II
Hazard statements: H314-H227-H318
Limited Quantities: 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Precautionary statements: P210e-P260h-P303+P361+P353-P405-P501a-P280-P305+P351+P338-P310