2-Amino-5-cyano-3-methylbenzoicAcid - CAS 871239-18-8

Catalog:	BB054908
Product Name:	2-Amino-5-cyano-3-methylbenzoicAcid
CAS:	871239-18-8
Synonyms:	2-AMINO-5-CYANO-3-METHYLBENZOIC ACID; Benzoic acid, 2-amino-5-cyano-3-methyl-; 3-Methyl-5-cyanoanthanilic acid

Technical Data

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Patents

Computed Properties

IUPAC Name:	2-amino-5-cyano-3-methylbenzoic acid
Molecular Weight:	176.17
Molecular Formula:	C9H8N2O2
Canonical SMILES:	CC1=CC(=CC(=C1N)C(=O)O)C#N
InChI:	InChI=1S/C9H8N2O2/c1-5-2-6(4-10)3-7(8(5)11)9(12)13/h2-3H,11H2,1H3,(H,12,13)
InChI Key:	FYPIIMYXBCWBPQ-UHFFFAOYSA-N

Publication Number	Title	Priority Date
CN-112920277-A	VHH-ELISA kit for analyzing cyantraniliprole and chlorantraniliprole residues and application thereof	20210127
WO-2021249395-A1	Solid state forms of cyantraniliprole	20200608
WO-2021046315-A2	Inhibitors of encephalitic alphaviruses	20190905
WO-2020170178-A1	A process for the synthesis anthranilic diamide compounds and intermediates thereof	20190222
CA-3129950-A1	A process for the synthesis anthranilic diamide compounds and intermediates thereof	20190222
IL-285377-D0	Process for the synthesis of enteric dimeric compounds and their intermediates	20190222
EP-3927685-A1	A process for the synthesis anthranilic diamide compounds and intermediates thereof	20190222
KR-20210130738-A	Method for synthesizing anthranilic acid diamide compound and intermediates thereof	20190222
WO-2020136480-A1	Process for preparation of anthranilamides	20181224
CA-3124627-A1	Process for preparation of anthranilamides	20181224

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P313, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	256
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	176.058577502
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	176.058577502
Rotatable Bond Count:	1
Topological Polar Surface Area:	87.1Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4