CAS 16184-89-7 4'-Bromo-2,2,2-trifluoroacetophenone (HCID 603866)

Names & identifiers

Preferred name: 4'-Bromo-2,2,2-trifluoroacetophenone
IUPAC: 1-(4-bromophenyl)-2,2,2-trifluoroethanone
English name: 4'-BROMO-2,2,2-TRIFLUOROACETOPHENONE
Molecular formula: C8H4BrF3O
Molecular weight: 253.02

Names & synonyms

16184-89-74'-Bromo-2,2,2-trifluoroacetophenoneDTXSID00345342RefChem:95927DTXCID50296416629-304-71-(4-Bromophenyl)-2,2,2-trifluoroethanone1-(4-bromophenyl)-2,2,2-trifluoroethan-1-oneEthanone, 1-(4-bromophenyl)-2,2,2-trifluoro-MFCD001918621-(4-Bromo-phenyl)-2,2,2-trifluoro-ethanone1-(4-bromophenyl)-2,2,2-trifluoro-ethanone

Show more names

4-bromo-α,α,α-trifluoroacetophen-Bromo-2,2,2-trifluoroacetophenone4-bromo-α,α,α-trifluoroacetophenone4'-Bromo-2,2,2-trifluoroacetophenone?New4'-Bromo-2,2,2-trifluoroacetophenone 99%4'-BROMO-2,2,2-TRIFLUOROACETOPHENONE, >=98%1-(4-broMophenyl)-2,2,2-trifluoro-1-ethanone

2,2,2-TRIFLUORO-4'-BROMOACETOPHENONE4-TrifluoroacetylbromobenzeneSCHEMBL172164 inverted exclamation mark -Bromo-2,2,2-trifluoroacetophenoneCS-M1418CL8645SBB1011964'-Bromo-2,2,2-trifluoracetophenone

Database identifiers

CAS: 16184-89-7
PubChem CID: 603866
DTXSID: DTXSID00345342
EC Number: 629-304-7
Nikkaji: J899.344K

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 194

Physicochemical properties

Melting point: 26 · 26-30 °C(lit.)
Boiling point: 95 °C4 · 95 °C4 mm Hg(lit.)
Density: 1.662 g/mL · 1.662 g/mL at 25 °C(lit.)
refractive index: 1.461 · 1.4610 (estimate)
Flash point: 205 °F · 205 °F
storage temp.: Inert atmosphere,Room Temperature
form: low melting crystals
color: Colourless
Water Solubility: Slightly soluble in water.
Sensitive: Moisture Sensitive
BRN: 1956460 · 1956460
InChI: InChI=1S/C8H4BrF3O/c9-6-3-1-5(2-4-6)7(13)8(10,11)12/h1-4H
InChIKey: IHGSAQHSAGRWNI-UHFFFAOYSA-N
SMILES: C(=O)(C1=CC=C(Br)C=C1)C(F)(F)F
CAS DataBase Reference: 16184 · 16184-89-7
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29147000 · 29147000
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

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 (97.9%): 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 47 reports by companies from 7 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 Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.9%)

Safety data

PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
hs_code: 29147000
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT
Storage Class: 10 - Combustible liquids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications

Uses4-Bromo-2,2,2-trifluoroacetophenone may be used in the preparation of carbonyl-bridged bithiazole derivatives. Also used as a reagent to synthesize MK-5046, a selective Bombesin receptor subtype-3 agonist used to treat obesity.