2-Amino-5-(trifluoromethyl)benzoic Acid - CAS 83265-53-6

Catalog:	BB036998
Product Name:	2-Amino-5-(trifluoromethyl)benzoic Acid
CAS:	83265-53-6
Synonyms:	2-amino-5-(trifluoromethyl)benzoic acid; 2-amino-5-(trifluoromethyl)benzoic acid

Technical Data

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Computed Properties

IUPAC Name:	2-amino-5-(trifluoromethyl)benzoic acid
Description:	2-Amino-5-(trifluoromethyl)benzoic Acid (CAS# 83265-53-6) is a useful research chemical.
Molecular Weight:	205.13
Molecular Formula:	C8H6F3NO2
Canonical SMILES:	C1=CC(=C(C=C1C(F)(F)F)C(=O)O)N
InChI:	InChI=1S/C8H6F3NO2/c9-8(10,11)4-1-2-6(12)5(3-4)7(13)14/h1-3H,12H2,(H,13,14)
InChI Key:	GLCQUPLYYXSPQB-UHFFFAOYSA-N
Boiling Point:	301.59 °C at 760 mmHg
Density:	1.489 g/cm³
MDL:	MFCD01569537
LogP:	2.56700

Publication Number	Title	Priority Date
WO-2021198188-A1	Quinazolinone derivatives and uses thereof for treating a cancer	20200330
CN-111018839-A	Triazole alcohol derivative and preparation method and application thereof	20191202
WO-2021033141-A1	Fused heterocyclic compounds and their use as pest control agents	20190820
TW-202003457-A	Sulfinylaminobenzamide and sulfonylaminobenzamide derivatives	20180522
US-2019359565-A1	Sulfinylaminobenzamide and sulfonylaminobenzamide derivatives	20180522

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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:	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:	2.3