2-Bromo-3'-(trifluoromethyl)acetophenone - CAS 2003-10-3

Catalog:	BB015464
Product Name:	2-Bromo-3'-(trifluoromethyl)acetophenone
CAS:	2003-10-3
Synonyms:	2-bromo-1-[3-(trifluoromethyl)phenyl]ethanone; 2-bromo-1-[3-(trifluoromethyl)phenyl]ethanone

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-bromo-1-[3-(trifluoromethyl)phenyl]ethanone
Description:	2-Bromo-3'-(trifluoromethyl)acetophenone (CAS# 2003-10-3) is a useful research chemical compound.
Molecular Weight:	267.04
Molecular Formula:	C9H6BrF3O
Canonical SMILES:	C1=CC(=CC(=C1)C(F)(F)F)C(=O)CBr
InChI:	InChI=1S/C9H6BrF3O/c10-5-8(14)6-2-1-3-7(4-6)9(11,12)13/h1-4H,5H2
InChI Key:	TZIYNLSEBAYCBZ-UHFFFAOYSA-N
Boiling Point:	64-72 °C
Density:	1.592 g/cm³
MDL:	MFCD03094283
LogP:	3.28300

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Related Functional Groups

Carbonyl Compounds

[17746-05-3]
Undecanoyl chloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride

GHS Hazard Statement:	H314 (28.57%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	215
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	265.95541
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	265.95541
Rotatable Bond Count:	2
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3