CAS 184970-25-0 1-(Bromomethyl)-2-fluoro-3-(trifluoromethyl)benzene (HCID 2737569)

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Basic information

CAS: 184970-25-0
Standard SMILES: Fc1c(CBr)cccc1C(F)(F)F
InChIKey: QBEHXDXQUVMEQX-UHFFFAOYSA-N
Molecular formula: C8H5BrF4
Average molar mass: 257.02 g/mol
Monoisotopic mass: 255.95107514

Names & identifiers

Preferred name: 1-(Bromomethyl)-2-fluoro-3-(trifluoromethyl)benzene
IUPAC: 1-(bromomethyl)-2-fluoro-3-(trifluoromethyl)benzene
English name: 2-FLUORO-3-(TRIFLUOROMETHYL)BENZYL BROMIDE
Molecular formula: C8H5BrF4
Molecular weight: 257.02

Names & synonyms

184970-25-01-(bromomethyl)-2-fluoro-3-(trifluoromethyl)benzeneRefChem:427231623-907-92-Fluoro-3-(trifluoromethyl)benzyl bromide2-fluoro-3-(trifluoromethyl)benzylbromideMFCD00061172SCHEMBL841044DTXSID203721502-Fluoro-3-(trifluoromethyl)benzyl bromide, 97%AKOS015854320AC-4172

Show more names

2-Fluoro-3-(trifluoromethyl)be2-FLUORO-3-(TRIFLUROMETHYL)BENZYL BROMID2-Fluoro-3-(trifluorMethyl)benzyl broMideà-bromo-2-fluoro-3-(trifluoromethyl)tolueneA-BROMO-2-FLUORO-3-(TRIFLUOROMETHYL)TOLUENE2-Fluoro-3-(trifluoromethyl)benzylbromide98%2-Fluoro-3-(trifluoromethyl)benzyl bromide 98%ALPHA-BROMO-2-FLUORO-3-(TRIFLUOROMETHYL)TOLUENE

3-(bromomethyl)-2-fluoro-1-(trifluoromethyl)benzene1-Bromomethyl-2-fluoro-3-trifluoromethyl-benzene2-fluoro-3-trifA4095FT-0612314SCHEMBL30806616SBB0484912-fluoro-3-trifluoromethylbenzyl bromide

Database identifiers

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 168

Physicochemical properties

Melting point: 58 · 58-62 °C (lit.)
Boiling point: 199.4 · 199.4±35.0 °C(Predicted)
Density: 1.64 · 1.640±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Appearance: White to off-white Solid
Sensitive: Lachrymatory
InChI: InChI=1S/C8H5BrF4/c9-4-5-2-1-3-6(7(5)10)8(11,12)13/h1-3H,4H2
InChIKey: QBEHXDXQUVMEQX-UHFFFAOYSA-N
SMILES: C1(CBr)=CC=CC(C(F)(F)F)=C1F
CAS DataBase Reference: 184970 · 184970-25-0(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314

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 45 reports by companies from 5 notifications to the ECHA C&L Inventory.

Hazard information

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

Safety data

PPE: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: 3
ridadr: UN 3261 8/PG 2
hs_code: 2903998090
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
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: III
Hazard statements: H314
Limited Quantities: 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)