Benzoicacid, 5-amino-4-methyl-2-nitro- supplier

Name
2-NITRO-5-AMINO-4-METHYLBENZOIC ACID
EINECS
CAS No. 204254-63-7
Density 1.482 g/cm³
Solubility
Melting Point
Formula C₈H₈N₂O₄
Boiling Point 490.9 °C at 760 mmHg
Molecular Weight 196.163
Flash Point 250.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-NITRO-5-AMINO-4-METHYLBENZOIC ACID;5-AMINO-4-METHYL-2-NITRO-BENZOIC ACID;Benzoic acid, 5-amino-4-methyl-2-nitro- (9CI)
PSA 109.14000
LogP 2.28800

Benzoicacid, 5-amino-4-methyl-2-nitro- Specification

The CAS registry number of Benzoicacid, 5-amino-4-methyl-2-nitro- is 204254-63-7. It belongs to the product category of Aminoacid. This chemical's molecular formula is C₈H₈N₂O₄ and molecular weight is 196.16. What's more, its systematic name is called 5-Amino-4-methyl-2-nitrobenzoic acid.

Physical properties about Benzoicacid, 5-amino-4-methyl-2-nitro- are: (1)ACD/LogP: 1.63; (2)#of Rule of 5 Violations: 0; (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: 6; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 109.14 Å²; (11)Index of Refraction: 1.658; (12)Molar Refractivity: 48.78 cm³; (13)Molar Volume: 132.3 cm³; (14)Polarizability: 19.34×10^-24 cm³; (15)Surface Tension: 74.1 dyne/cm; (16)Density: 1.482 g/cm³; (17)Flash Point: 250.7 °C; (18)Enthalpy of Vaporization: 79.78 kJ/mol; (19)Boiling Point: 490.9 °C at 760 mmHg; (20)Vapour Pressure: 1.88E-10 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cc1cc([N+]([O-])=O)c(cc1N)C(O)=O
(2) InChI: InChI=1/C8H8N2O4/c1-4-2-7(10(13)14)5(8(11)12)3-6(4)9/h2-3H,9H2,1H3,(H,11,12)
(3) InChIKey: XWONHRIVUKCQFF-UHFFFAOYAU

Product Name

2-NITRO-5-AMINO-4-METHYLBENZOIC ACID

Benzoicacid, 5-amino-4-methyl-2-nitro- Specification

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