CAS 261951-85-3 2-Bromo-6-fluorobenzotrifluoride (HCID 2773345)

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Basic information

CAS: 261951-85-3
Standard SMILES: Fc1cccc(Br)c1C(F)(F)F
InChIKey: LOXSSZUHCPBDMD-UHFFFAOYSA-N
Molecular formula: C7H3BrF4
Average molar mass: 243 g/mol
Monoisotopic mass: 241.93543

Names & identifiers

Preferred name: 2-Bromo-6-fluorobenzotrifluoride
IUPAC: 1-bromo-3-fluoro-2-(trifluoromethyl)benzene
English name: 1-Bromo-3-fluoro-2-(trifluoromethyl)benzene
Molecular formula: C7H3BrF4
Molecular weight: 243

Names & synonyms

2-Bromo-6-fluorobenzotrifluoride261951-85-31-bromo-3-fluoro-2-(trifluoromethyl)benzeneDTXSID60378393RefChem:467030DTXCID00329420670-718-23-Fluoro-2-(trifluoromethyl)bromobenzeneMFCD01631569Benzene, 1-bromo-3-fluoro-2-(trifluoromethyl)-2-BROMO-ALPHA,ALPHA,ALPHA,6-TETRAFLUOROTOLUENE2-bromo-6-fluorobenzo trifluoride

Show more names

Enzalutamide Impurity 872-Fluoro-6-Bromotrifluorotoluene2-bromo-6-fluoro-trifluorotoluene1-Bromo-3-fluoro-2-(trifluoromethyl)benzene, 2-Bromo-alpha,alpha,alpha,6-tetrafluorotoluene

CL8819AKOS005063725AC-2332AS-19443BP-11100SY024103B4833EN300-131993

Database identifiers

CAS: 261951-85-3
PubChem CID: 2773345
DTXSID: DTXSID60378393
EC Number: 670-718-2
Nikkaji: J3.794.082H

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: 173.9 · 173.9±35.0 °C(Predicted)
Density: 1.76 · 1.76
refractive index: 1.472 · 1.4720
storage temp.: Sealed in dry,Room Temperature
form: clear liquid
color: Colorless to Almost colorless
CAS DataBase Reference: 261951 · 261951-85-3
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37
HazardClass: IRRITANT
HS Code: 29039990 · 29039990

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (75%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 8 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.