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

Name
2-NITRO-3,5-DIAMINO-BENZOIC ACID
EINECS
CAS No. 54002-37-8
Density 1.665 g/cm³
Solubility
Melting Point
Formula C₇H₇N₃O₄
Boiling Point 576.1 °C at 760 mmHg
Molecular Weight 197.15
Flash Point 302.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3,5-Diamino-2-nitrobenzoic acid;2-Nitro-3,5-diamino-benzoic acid;
PSA 135.16000
LogP 2.14300

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

The Benzoic acid,3,5-diamino-2-nitro-, with the CAS registry number 54002-37-8, is also known as 2-Nitro-3,5-diamino-benzoic acid. This chemical's molecular formula is C₇H₇N₃O₄ and molecular weight is 197.15. What's more, its systematic name is 3,5-Diamino-2-nitrobenzoic acid.

Physical properties of Benzoic acid,3,5-diamino-2-nitro- are: (1)ACD/LogP: 1.26; (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: 1.749; (12)Molar Refractivity: 48.2 cm³; (13)Molar Volume: 118.3 cm³; (14)Polarizability: 19.1×10^-24cm³; (15)Surface Tension: 102.4 dyne/cm; (16)Density: 1.665 g/cm³; (17)Flash Point: 302.2 °C; (18)Enthalpy of Vaporization: 90.76 kJ/mol; (19)Boiling Point: 576.1 °C at 760 mmHg; (20)Vapour Pressure: 4.1E-14 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1c(cc(N)cc1N)C(O)=O
(2)InChI: InChI=1S/C7H7N3O4/c8-3-1-4(7(11)12)6(10(13)14)5(9)2-3/h1-2H,8-9H2,(H,11,12)
(3)InChIKey: BHKQMZQIEUMDAF-UHFFFAOYSA-N

Product Name

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

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

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