Benzoic acid,2-amino-6-nitro-, methyl ester supplier

Name
Methyl 2-Amino-6-nitrobenzoate
EINECS
CAS No. 57113-89-0
Article Data9
CAS DataBase
Density 1.386g/cm³
Solubility
Melting Point 105-107 °C(Solv: methanol (67-56-1); water (7732-18-5))
Formula C₈H₈N₂O₄
Boiling Point 339.2 °C at 760 mmHg
Molecular Weight 196.163
Flash Point 158.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Amino-6-nitrobenzoicacid methyl ester;Methyl 2-amino-6-nitrobenzoate;Methyl 6-nitroanthranilate;
PSA 98.14000
LogP 2.06800

Benzoic acid,2-amino-6-nitro-, methyl ester Specification

The Benzoic acid,2-amino-6-nitro-, methyl ester, with CAS registry number 57113-89-0, belongs to the following product category: Amino Acids and Derivatives. It has the systematic name of methyl 2-amino-6-nitrobenzoate. And the chemical formula of this chemical is C₈H₈N₂O₄.

Physical properties of Benzoic acid,2-amino-6-nitro-, methyl ester: (1)ACD/LogP: 2.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.2; (4)ACD/LogD (pH 7.4): 2.2; (5)ACD/BCF (pH 5.5): 27.79; (6)ACD/BCF (pH 7.4): 27.79; (7)ACD/KOC (pH 5.5): 375.92; (8)ACD/KOC (pH 7.4): 375.93; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 75.36 Å²; (13)Index of Refraction: 1.606; (14)Molar Refractivity: 48.8 cm³; (15)Molar Volume: 141.4 cm³; (16)Polarizability: 19.34×10^-24cm³; (17)Surface Tension: 59.8 dyne/cm; (18)Density: 1.386 g/cm³; (19)Flash Point: 158.9 °C; (20)Enthalpy of Vaporization: 58.26 kJ/mol; (21)Boiling Point: 339.2 °C at 760 mmHg; (22)Vapour Pressure: 9.34E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1c(cccc1N)[N+]([O-])=O
(2)InChI: InChI=1/C8H8N2O4/c1-14-8(11)7-5(9)3-2-4-6(7)10(12)13/h2-4H,9H2,1H3
(3)InChIKey: NFPMHGVGDWXWRJ-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C8H8N2O4/c1-14-8(11)7-5(9)3-2-4-6(7)10(12)13/h2-4H,9H2,1H3
(5)Std. InChIKey: NFPMHGVGDWXWRJ-UHFFFAOYSA-N

Product Name

Methyl 2-Amino-6-nitrobenzoate

Benzoic acid,2-amino-6-nitro-, methyl ester Specification

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