4-Bromo-2-(trifluoromethyl)benzoic Acid - CAS 320-31-0

Catalog:	BB021130
Product Name:	4-Bromo-2-(trifluoromethyl)benzoic Acid
CAS:	320-31-0
Synonyms:	4-bromo-2-(trifluoromethyl)benzoic acid; 4-bromo-2-(trifluoromethyl)benzoic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-bromo-2-(trifluoromethyl)benzoic acid
Description:	4-Bromo-2-(trifluoromethyl)benzoic Acid (CAS# 320-31-0) is a useful research chemical.
Molecular Weight:	269.02
Molecular Formula:	C8H4BrF3O2
Canonical SMILES:	C1=CC(=C(C=C1Br)C(F)(F)F)C(=O)O
InChI:	InChI=1S/C8H4BrF3O2/c9-4-1-2-5(7(13)14)6(3-4)8(10,11)12/h1-3H,(H,13,14)
InChI Key:	JXHWAPDBDXPBEQ-UHFFFAOYSA-N
Boiling Point:	275.2 °C at 760 mmHg
Density:	1.773 g/cm³
MDL:	MFCD07787468
LogP:	3.16610

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Related Functional Groups

Carbonyl Compounds

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2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1427004-19-0]
DBCO-PEG4-NHS ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[55441-25-3]
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[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic 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