CAS No.606-18-8,2-Amino-3-nitrobenzoic acid Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	606-18-8
Name:	2-Amino-3-nitrobenzoic acid
Article Data:	38

Formula:	C₇H₆N₂O₄
Molecular Weight:	182.136
Synonyms:	Anthranilic acid, 3-nitro- (7CI,8CI);3-Nitroanthranilic acid;NSC 1162;
Density:	1.568 g/cm³
Melting Point:	207-211 °C
Boiling Point:	390.4 °C at 760 mmHg
Flash Point:	189.9 °C
Appearance:	WHITE TO BROWN SOLID, POWDER, CRYSTALS, CRYSTALLINE POWDER, AND/OR CHUNKS
Hazard Symbols:	Xn, Xi
Risk Codes:	22
Safety:	26-36/37/39
PSA:	109.14000
LogP:	1.97960

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Specification

The IUPAC name of Benzoicacid, 2-amino-3-nitro- is 2-amino-3-nitrobenzoic acid. With the CAS registry number 606-18-8, it is also named as 3-Nitroanthranilic acid. The product's categories are drug intermediates; aromatics; aromatic carboxylic acids, amides, anilides, anhydrides & salts; pharmacetical; carboxylic acids; phenyls & phenyl-Het; benzoic acid; amino acids & derivatives; aromatic amino acids; peptide synthesis; unnatural amino acid derivatives. Furthermore, this chemical is harmful if swallowed.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.99; (4)ACD/BCF (pH 5.5): 1.61; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 20.79; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 6; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.681; (12)Molar Refractivity: 43.96 cm³; (13)Molar Volume: 116 cm³; (14)Polarizability: 17.42×10^-24 cm³; (15)Surface Tension: 83.3 dyne/cm; (16)Enthalpy of Vaporization: 67.49 kJ/mol; (17)Vapour Pressure: 8.55E-07 mmHg at 25°C; (18)Rotatable Bond Count: 1; (19)Tautomer Count: 3; (20)Exact Mass: 182.032757; (21)MonoIsotopic Mass: 182.032757; (22)Topological Polar Surface Area: 109; (23)Heavy Atom Count: 13.

People can use the following data to convert to the molecule structure.
1. SMILES: O=[N+]([O-])c1cccc(C(=O)O)c1N;
2. InChI: InChI=1/C7H6N2O4/c8-6-4(7(10)11)2-1-3-5(6)9(12)13/h1-3H,8H2,(H,10,11).