Benzoicacid, 3-amino-4-methyl-2-nitro- supplier

Name
2-NITRO-3-AMINO-4-METHYLBENZOIC ACID
EINECS
CAS No. 37901-90-9
Article Data4
CAS DataBase
Density 1.482 g/cm³
Solubility
Melting Point
Formula C₈H₈N₂O₄
Boiling Point 444.8 °C at 760 mmHg
Molecular Weight 196.163
Flash Point 222.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Amino-4-methyl-2-nitrobenzoicacid;3-amino-4-methyl-2-nitrobenzoic acid;
PSA 109.14000
LogP 2.28800

Benzoicacid, 3-amino-4-methyl-2-nitro- Specification

The Benzoicacid, 3-amino-4-methyl-2-nitro-, with the CAS registry number 37901-90-9, is also known as 3-Amino-4-methyl-2-nitrobenzoicacid. It belongs to the product category of API intermediates. This chemical's molecular formula is C₈H₈N₂O₄ and molecular weight is 196.16. What's more, its systematic name is 3-amino-4-methyl-2-nitrobenzoic acid.

Physical properties of Benzoicacid, 3-amino-4-methyl-2-nitro- are: (1)ACD/LogP: 2.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.65; (4)ACD/LogD (pH 7.4): -1.07; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 75.36 Å²; (13)Index of Refraction: 1.658; (14)Molar Refractivity: 48.78 cm³; (15)Molar Volume: 132.3 cm³; (16)Polarizability: 19.34×10^-24 cm³; (17)Surface Tension: 74.1 dyne/cm; (18)Density: 1.482 g/cm³; (19)Flash Point: 222.8 °C; (20)Enthalpy of Vaporization: 74.06 kJ/mol; (21)Boiling Point: 444.8 °C at 760 mmHg; (22)Vapour Pressure: 1.08E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: [O-][N+](=O)c1c(C(=O)O)ccc(c1N)C
(2)InChI: InChI=1/C8H8N2O4/c1-4-2-3-5(8(11)12)7(6(4)9)10(13)14/h2-3H,9H2,1H3,(H,11,12)
(3)InChIKey: JLWAVVAJFWDXEF-UHFFFAOYAK

Product Name

2-NITRO-3-AMINO-4-METHYLBENZOIC ACID

Benzoicacid, 3-amino-4-methyl-2-nitro- Specification

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