3,5-Bis(trifluoromethyl)phenacyl bromide

HCID 2736170

Notes Reactions

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Basic information

CAS: 131805-94-2
Standard SMILES: O=C(CBr)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIKey: ZEKBFXJTIAEUOF-UHFFFAOYSA-N
Molecular formula: C10H5BrF6O
Average molar mass: 335.04 g/mol
Monoisotopic mass: 333.9428

Names & identifiers

Preferred name: 3,5-Bis(trifluoromethyl)phenacyl bromide
IUPAC: 1-[3,5-bis(trifluoromethyl)phenyl]-2-bromoethanone
English name: 3',5'-BIS(TRIFLUOROMETHYL)-2-BROMOACETOPHENONE
Molecular formula: C10H5BrF6O
Molecular weight: 335.04

Names & synonyms

3,5-bis(trifluoromethyl)phenacyl bromideRefChem:486557638-928-9131805-94-21-(3,5-Bis(trifluoromethyl)phenyl)-2-bromoethanone3',5'-Bis(trifluoromethyl)-2-bromoacetophenone1-[3,5-bis(trifluoromethyl)phenyl]-2-bromoethanone1-[3,5-Bis(Trifluoromethyl)Phenyl]-2-Bromoethan-1-OneMFCD00792434a-Bromo-3',5'-bis(trifluoromethyl)acetophenoneEthanone, 1-[3,5-bis(trifluoromethyl)phenyl]-2-bromo-2-bromo-1-[3,5-bis(trifluoromethyl)phenyl]ethanone

Show more names

BUTTPARK 41\03-56Nicergoline IMp. D (EP)3,5-Bis(trifluoromethyl)phenacylbromide97%3,5-Bis(trifluoromethyl)phenacyl bromide 97%2-bromo-1-3,5-di(trifluoromethyl)phenylethylone

1-[3,5-Bis(Trifluoromethyl)Phenyl]-2-Bromo-Ethanone3,5-bis(trifluoromethyl)phenacylbromide1-(3,5-bis(trifluoromethyl)phenyl)-2-bromoethan-1-one3,5-bistrifluoromethyl-phenacyl bromideTrifluoroBromoacetophenoneSCHEMBL6304141-(3,5-Bis-trifluoromethyl-phenyl)-2-bromo-ethanoneCHEMBL4648550

Database identifiers

CAS: 131805-94-2
PubChem CID: 2736170
DTXSID: DTXSID70371178
ChEMBL: CHEMBL4648550
EC Number: 638-928-9
Nikkaji: J2.387.956E

Properties

Computed structural properties

XLogP: 4.2
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 2
Heavy atoms: 18
Formal charge: 0
Complexity: 288

Physicochemical properties

Melting point: 44 · 44-46
Boiling point: 211.6 · 211.6±35.0 °C(Predicted)
Density: 1.665 · 1.665±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
form: solid
color: White
CAS DataBase Reference: 131805 · 131805-94-2(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H332-H335
Precautionary statements: 280 · P280-P305+P351+P338-P310
Hazard Codes: Xi
Risk Statements: 34 · 34-36/37/38
Safety Statements: 26 · 26-36/37/39
RIDADR: 1760 · 1760
HazardClass: IRRITANT
HS Code: 2914790090 · 2914790090
Limited Quantities: 5 kg · 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): 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+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 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.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (50%)；Skin Irrit. 2 (50%)；Eye Irrit. 2 (50%)；STOT SE 3 (50%)

Safety data

ridadr: 1760
hs_code: 2914790090
risk_code: 34-36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36/37/39
hazard_class: IRRITANT
Hazard statements: H302-H315-H319-H332-H335
Limited Quantities: 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Precautionary statements: P280-P305+P351+P338-P310