2-Bromo-1-(4-(trifluoromethyl)phenyl)propan-1-one

HCID 10423819

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Basic information

CAS: 95728-57-7
Standard SMILES: CC(Br)C(=O)c1ccc(C(F)(F)F)cc1
InChIKey: NFXCMWCJLDRJIM-UHFFFAOYSA-N
Molecular formula: C10H8BrF3O
Average molar mass: 281.07 g/mol
Monoisotopic mass: 279.97106164

Names & identifiers

Preferred name: 2-Bromo-1-(4-(trifluoromethyl)phenyl)propan-1-one
IUPAC: 2-bromo-1-[4-(trifluoromethyl)phenyl]propan-1-one
English name: 2-Bromo-1-[4-(trifluoromethyl)phenyl]propan-1-one, 4-(2-Bromopropanoyl)benzotrifluoride
Molecular formula: C10H8BrF3O
Molecular weight: 281.07

Names & synonyms

95728-57-72-BROMO-1-(4-(TRIFLUOROMETHYL)PHENYL)PROPAN-1-ONE2-bromo-1-[4-(trifluoromethyl)phenyl]propan-1-oneDTXSID40439714RefChem:256826DTXCID20390536871-368-52-Bromo-4'-(trifluoromethyl)propiophenoneMFCD170102341-Propanone, 2-bromo-1-[4-(trifluoromethyl)phenyl]-SCHEMBL7868342-Bromo-1-[4-(trifluoromethyl)phenyl]-1-propanone

Show more names

1-propanone, 2-broMo-1-[4- (trifloroMethyl)phenyl

VDA72857AKOS0302299022-Bromo-1-[4-(trifluoromethyl)phenyl]propan-1-one, 4-(2-Bromopropanoyl)benzotrifluorideAS-35452SY358379DB-364660CS-0199794EN300-3361578

Database identifiers

CAS: 95728-57-7
PubChem CID: 10423819
DTXSID: DTXSID40439714
EC Number: 871-368-5
Nikkaji: J1.882.242C

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 231

Physicochemical properties

form: Solid
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 315 · H315-H318-H335
Precautionary statements: 280 · P280-P261-P271
HS Code: 2914790090 · 2914790090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.