4-Bromo-2-chloro-alpha,alpha,alpha-trifluorotoluene (HCID 67959)

Names & identifiers

Preferred name: 4-Bromo-2-chloro-alpha,alpha,alpha-trifluorotoluene
IUPAC: 4-bromo-1-chloro-2-(trifluoromethyl)benzene
English name: 5-Bromo-2-chlorobenzotrifluoride
Molecular formula: C7H3BrClF3
Molecular weight: 259.45

Names & synonyms

5-Bromo-2-chlorobenzotrifluoride445-01-2EINECS 207-149-24-Bromo-2-chloro-alpha,alpha,alpha-trifluorotolueneDTXSID20196196RefChem:519614DTXCID30118687207-149-24-Bromo-1-chloro-2-(trifluoromethyl)benzeneBenzene, 4-bromo-1-chloro-2-(trifluoromethyl)-MFCD00000601XGOCKBMEZPNDPJ-UHFFFAOYSA-

Show more names

CL0265-Bromo-2-chlorotrifluoride2-Chloro-5-bromotrifluorotolue3-BROMO-6-CHLOROBENZOTRIFLUORIDE2-CHLORO-5-BROMO BENZOTRIFLUORIDE5-BROMO-2-CHLORO-BENZENETRIFLUORIDE5-Bromo-2-chlorobenzotrifluoride98%5-Bromo-2-chlorobenzotrifluoride 98%5-Bromo-2-chloro-,,-trifluorotoluene

5-bromo-2-chloro-benzotrifluorideAKOS005258117SY018004EN300-2272024-Bromo-1-chloro-2-(trifluoromethyl)benzene #5-Bromo-2-chloro-alpha,alpha,alpha-trifluorotoluene4-bromo-1-chloro-2-trifluoromethylbenzeneAM20060281

Database identifiers

CAS: 445-01-2
PubChem CID: 67959
DTXSID: DTXSID20196196
UNII: RK6Y7PY8S9
EC Number: 207-149-2
Nikkaji: J196.134I

Properties

Computed structural properties

XLogP: 4.8
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 159

Physicochemical properties

Melting point: -21 °C · -21°C
Boiling point: 76 · 76-81 °C (11 mmHg)
Density: 1.745 g/mL · 1.745 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.507(lit.)
Flash point: 178 °F · 178 °F
storage temp.: Sealed in dry,Room Temperature
form: Liquid
Specific Gravity: 1.745 · 1.745
color: Clear pale yellow
BRN: 2098752 · 2098752
InChI: 1S/C7H3BrClF3/c8-4-1-2-6(9)5(3-4)7(10,11)12/h1-3H
InChIKey: XGOCKBMEZPNDPJ-UHFFFAOYSA-N
SMILES: FC(F)(F)c1cc(Br)ccc1Cl
CAS DataBase Reference: 445 · 445-01-2(CAS DataBase Reference)
FDA UNII: 6 Y7PY8S9 · RK6Y7PY8S9
NIST Chemistry Reference: 4 · Benzene, 4-bromo-1-chloro-2-(trifluoromethyl)-(445-01-2)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 227 · H227-H315-H319-H335
Precautionary statements: 210 e-P280a-P405-P501a-P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P403+P235-P501-P261-P305+P351+P338 · P210e-P280a-P405-P501a-P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P403+P235-P501-P261-P305+P351+P338
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-27-28-36/37/39
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29039990 · 29039990
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 · Aquatic Chronic 2

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (97.9%): 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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (97.9%)

Safety data

PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
hs_code: 29039990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn
safety_code: 26-27-28-36/37/39
hazard_class: IRRITANT
Storage Class: 10 - Combustible liquids
Hazard statements: H227-H315-H319-H335
Hazard Classifications: Aquatic Chronic 2
Precautionary statements: P210e-P280a-P405-P501a-P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P403+P235-P501-P261-P305+P351+P338