2-Amino-3-(trifluoromethoxy)benzoic Acid - CAS 561304-41-4

Catalog:	BB029266
Product Name:	2-Amino-3-(trifluoromethoxy)benzoic Acid
CAS:	561304-41-4
Synonyms:	2-amino-3-(trifluoromethoxy)benzoic acid; 2-amino-3-(trifluoromethoxy)benzoic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-amino-3-(trifluoromethoxy)benzoic acid
Description:	2-Amino-3-(trifluoromethoxy)benzoic Acid (CAS# 561304-41-4) is a useful research chemical.
Molecular Weight:	221.13
Molecular Formula:	C8H6F3NO3
Canonical SMILES:	C1=CC(=C(C(=C1)OC(F)(F)F)N)C(=O)O
InChI:	InChI=1S/C8H6F3NO3/c9-8(10,11)15-5-3-1-2-4(6(5)12)7(13)14/h1-3H,12H2,(H,13,14)
InChI Key:	BQPQFVVEWXYRMH-UHFFFAOYSA-N
Boiling Point:	283 °C
Density:	1.528 g/cm³
MDL:	MFCD08669644
LogP:	2.44680

Publication Number	Title	Priority Date
WO-2021116260-A1	Quinazoline derivatives as lpa receptor 2 inhibitors	20191212
WO-2020221074-A1	Compound containing fused ring, use thereof and pharmaceutical composition containing same	20190430
CN-104086429-A	Preparation method of nitrobenzene derivatives	20140731
CN-104086429-B	A kind of preparation method of nitrobenzene derivative	20140731
AU-2011296024-A1	Quinazoline compounds and methods of use thereof	20100901

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1427004-19-0]
DBCO-PEG4-NHS ester
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[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
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	244
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	221.02997754
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	7
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	221.02997754
Rotatable Bond Count:	2
Topological Polar Surface Area:	72.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5