Benzoic acid,3,5-diamino-4-methyl-2-nitro- supplier

Name
2-NITRO-3,5-DIAMINO-4-METHYL-BENZOIC ACID
EINECS
CAS No. 54002-36-7
Density 1.568 g/cm³
Solubility
Melting Point
Formula C₈H₉N₃O₄
Boiling Point 571.8 °C at 760 mmHg
Molecular Weight 211.177
Flash Point 299.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3,5-Diamino-4-methyl-2-nitrobenzoic acid;2-Nitro-3,5-diamino-4-methyl-benzoic acid;
PSA 135.16000
LogP 2.45140

Benzoic acid,3,5-diamino-4-methyl-2-nitro- Specification

The Benzoic acid,3,5-diamino-4-methyl-2-nitro-, with the CAS registry number 54002-36-7, is also known as 2-Nitro-3,5-diamino-4-methyl-benzoic acid. This chemical's molecular formula is C₈H₉N₃O₄ and molecular weight is 211.17. What's more, its systematic name is 3,5-Diamino-4-methyl-2-nitrobenzoic acid.

Physical properties of Benzoic acid,3,5-diamino-4-methyl-2-nitro- are: (1)ACD/LogP: 1.72; (2)# of Rule of 5 Violations: 1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 7; (8)#H bond donors: 5; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 135.16 Å²; (11)Index of Refraction: 1.717; (12)Molar Refractivity: 53.02 cm³; (13)Molar Volume: 134.6 cm³; (14)Polarizability: 21.02×10^-24cm³; (15)Surface Tension: 89.5 dyne/cm; (16)Density: 1.568 g/cm³; (17)Flash Point: 299.6 °C; (18)Enthalpy of Vaporization: 90.18 kJ/mol; (19)Boiling Point: 571.8 °C at 760 mmHg; (20)Vapour Pressure: 6.52E-14 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Nc1cc(c([N+]([O-])=O)c(N)c1C)C(O)=O
(2)InChI: InChI=1S/C8H9N3O4/c1-3-5(9)2-4(8(12)13)7(6(3)10)11(14)15/h2H,9-10H2,1H3,(H,12,13)
(3)InChIKey: QYUHICZFIDZFOL-UHFFFAOYSA-N

Product Name

2-NITRO-3,5-DIAMINO-4-METHYL-BENZOIC ACID

Benzoic acid,3,5-diamino-4-methyl-2-nitro- Specification

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