4-Bromo-3-(trifluoromethyl)benzoic Acid - CAS 161622-14-6

Catalog:	BB011768
Product Name:	4-Bromo-3-(trifluoromethyl)benzoic Acid
CAS:	161622-14-6
Synonyms:	4-bromo-3-(trifluoromethyl)benzoic acid; 4-bromo-3-(trifluoromethyl)benzoic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-bromo-3-(trifluoromethyl)benzoic acid
Description:	4-Bromo-3-(trifluoromethyl)benzoic Acid (CAS# 161622-14-6) is a useful research chemical.
Molecular Weight:	269.02
Molecular Formula:	C8H4BrF3O2
Canonical SMILES:	C1=CC(=C(C=C1C(=O)O)C(F)(F)F)Br
InChI:	InChI=1S/C8H4BrF3O2/c9-6-2-1-4(7(13)14)3-5(6)8(10,11)12/h1-3H,(H,13,14)
InChI Key:	GPBPFDPENZHCPR-UHFFFAOYSA-N
Boiling Point:	289.2 °C at 760 mmHg
Density:	1.773 g/cm³
LogP:	3.16610

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]
Chloranilic acid
[1427004-19-0]
DBCO-PEG4-NHS ester
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	229
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	267.93468
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	267.93468
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3