4-Amino-2-(trifluoromethyl)benzoic Acid - CAS 393-06-6

Catalog:	BB023931
Product Name:	4-Amino-2-(trifluoromethyl)benzoic Acid
CAS:	393-06-6
Synonyms:	4-amino-2-(trifluoromethyl)benzoic acid; 4-amino-2-(trifluoromethyl)benzoic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-amino-2-(trifluoromethyl)benzoic acid
Description:	4-Amino-2-(trifluoromethyl)benzoic Acid (CAS# 393-06-6) is a useful research chemical.
Molecular Weight:	205.13
Molecular Formula:	C8H6F3NO2
Canonical SMILES:	C1=CC(=C(C=C1N)C(F)(F)F)C(=O)O
InChI:	InChI=1S/C8H6F3NO2/c9-8(10,11)6-3-4(12)1-2-5(6)7(13)14/h1-3H,12H2,(H,13,14)
InChI Key:	AMVHEVZYTGHASE-UHFFFAOYSA-N
Boiling Point:	318.8 °C at 760 mmHg
Density:	1.489 g/cm³
MDL:	MFCD03407959
LogP:	2.56700

Publication Number	Title	Priority Date
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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[69616-74-6]
2',4-Dihydroxy-3',4',6'-trimethoxychalcone
[4313-03-5]
2,4-Heptadienal

GHS Hazard Statement:	H302 (71.43%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, 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:	205.03506292
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	205.03506292
Rotatable Bond Count:	1
Topological Polar Surface Area:	63.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7