Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Benzoic acid,2-amino-6-nitro-, methyl ester |
EINECS | N/A |
CAS No. | 57113-89-0 | Density | 1.386g/cm3 |
PSA | 98.14000 | LogP | 2.06800 |
Solubility | N/A | 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 | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Amino-6-nitrobenzoicacid methyl ester;Methyl 2-amino-6-nitrobenzoate;Methyl 6-nitroanthranilate; |
Article Data | 9 |
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