3-Bromo-2-fluorobenzotrifluoride

HCID 2736320CAS 144584-67-8

Substructure search Find similar structures

Basic information

Standard SMILES: Fc1c(Br)cccc1C(F)(F)F
InChIKey: VPXCYIIXCVJZKZ-UHFFFAOYSA-N
Molecular formula: C7H3BrF4
Average molar mass: 243 g/mol
Monoisotopic mass: 241.93542508

Names & identifiers

Preferred name: 3-Bromo-2-fluorobenzotrifluoride
IUPAC: 1-bromo-2-fluoro-3-(trifluoromethyl)benzene
English name: 3-BROMO-2-FLUOROBENZOTRIFLUORIDE
Molecular formula: C7H3BrF4
Molecular weight: 243

Names & synonyms

3-Bromo-2-fluorobenzotrifluoride144584-67-8DTXSID70371274RefChem:93123DTXCID30322308670-899-8VPXCYIIXCVJZKZ-UHFFFAOYSA-N1-bromo-2-fluoro-3-(trifluoromethyl)benzeneMFCD00070812Benzene, 1-bromo-2-fluoro-3-(trifluoromethyl)-2-fluoro-3-(trifluoromethyl)bromobenzene3-Bromo-2-fluoro-1-(trifluoromethyl)benzene

Show more names

2-Fluoro-3-broMobenzotrifluoride3-bromo-2-fluoro-trifluorotoluene3-Bromo-2-fluorobenzotrifluoride97%3-Bromo-2-fluorobenzotrifluoride >3-Bromo-2-fluorobenzotrifluoride 97%3-Bromo-alpha,alpha,alpha,2-tetrafluorotoluene

SCHEMBL8993441-bromo-2-fluoro-3-trifluoromethylbenzeneAKOS005258439AC-2333DS-12152EN300-15906263-Bromo-2-fluoroAM61774

Database identifiers

CAS: 144584-67-8
PubChem CID: 2736320
DTXSID: DTXSID70371274
EC Number: 670-899-8

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 156

Physicochemical properties

Boiling point: 168 · 168-169 °C (lit.)
Density: 1.69 g/mL · 1.690 g/mL at 25 °C (lit.)
refractive index: 1.464 · 1.464
Flash point: 100 °C · >100°C
storage temp.: Sealed in dry,Room Temperature
form: clear liquid
color: Colorless to Light yellow to Light orange
InChI: 1S/C7H3BrF4/c8-5-3-1-2-4(6(5)9)7(10,11)12/h1-3H
InChIKey: VPXCYIIXCVJZKZ-UHFFFAOYSA-N
SMILES: Fc1c(Br)cccc1C(F)(F)F
CAS DataBase Reference: 144584 · 144584-67-8(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H315-H319
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
PPE: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-20/21/22
Safety Statements: 26 · 26-36/37/39-24/25-23-36
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29039990 · 29039990
Storage Class: 10 · 10 - Combustible liquids

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
wgk: 3
hs_code: 29039990
risk_code: 36/37/38-20/21/22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn
safety_code: 26-36/37/39-24/25-23-36
hazard_class: IRRITANT
Storage Class: 10 - Combustible liquids
Hazard statements: H335-H315-H319
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a