CAS 213203-65-7 4-(Bromomethyl)-2-fluoro-1-(trifluoromethyl)benzene (HCID 2737574)

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Basic information

CAS: 213203-65-7
Standard SMILES: Fc1cc(CBr)ccc1C(F)(F)F
InChIKey: MOVSRIIBGRAUAF-UHFFFAOYSA-N
Molecular formula: C8H5BrF4
Average molar mass: 257.02 g/mol
Monoisotopic mass: 255.95108

Names & identifiers

Preferred name: 4-(Bromomethyl)-2-fluoro-1-(trifluoromethyl)benzene
IUPAC: 4-(bromomethyl)-2-fluoro-1-(trifluoromethyl)benzene
English name: 3-Fluoro-4-(trifluoromethyl)benzyl bromide
Molecular formula: C8H5BrF4
Molecular weight: 257.02

Names & synonyms

4-(bromomethyl)-2-fluoro-1-(trifluoromethyl)benzeneRefChem:515368671-884-9213203-65-73-Fluoro-4-(trifluoromethyl)benzyl bromideMFCD00236289SCHEMBL698164DTXSID603721544-bromomethyl-2-fluoro-1-trifluoromethyl-benzeneAKOS0158532873-fluoro-4-trifluoromethylbenzyl bromideSCHEMBL29889972

Show more names

Fluorotrifluoromethylbenzylbromide3-fluoro-4-trifluoromethyl bromide benzylà-bromo-3-fluoro-4-(trifluoromethyl)toluenea-Bromo-3-fluoro-4-(trifluoromethyl)toluene3-Fluoro-4-(trifluoromethyl)benzyl bromide 97%ALPA-BROMO-3-FLUORO-4-(TRIFLUOROMETHYL)TOLUENE3-Fluoro-4-(trifluoromethyl)benzyl bromide, 97+%3-Fluoro-4-(trifluoromethyl)benzyl bromide bromide

SBB1018083-fluoro-4-trifluoromethyl-benzyl bromideAC-28642AS-40114SY227757DB-045548EN300-1930704F007924

Database identifiers

CAS

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: 25 · 25-27°C
Boiling point: 206.8 · 206.8±35.0 °C(Predicted)
Density: 1.64 · 1.640±0.06 g/cm3(Predicted)
form: fused solid
color: Off white
Sensitive: Lachrymatory
InChI: 1S/C8H5BrF4/c9-4-5-1-2-6(7(10)3-5)8(11,12)13/h1-3H,4H2
InChIKey: MOVSRIIBGRAUAF-UHFFFAOYSA-N
SMILES: Fc1cc(CBr)ccc1C(F)(F)F
CAS DataBase Reference: 213203 · 213203-65-7(CAS DataBase Reference)
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314-H318
Precautionary statements: 260 h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a · P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H319 (16.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (16.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P337+P317, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 3 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.