The CAS register number of Methyl 2-amino-5-nitrobenzoate is 3816-62-4. It also can be called as Benzoic acid,2-amino-5-nitro-, methyl ester and the systematic name about this chemical is methyl 2-amino-5-nitrobenzoate. The molecular formula about this chemical is C8H8N2O4 and molecular weight is 196.16.
Physical properties about Methyl 2-amino-5-nitrobenzoate are: (1)ACD/LogP: 2.39; (2)ACD/LogD (pH 5.5): 2.39; (3)ACD/LogD (pH 7.4): 2.39; (4)ACD/BCF (pH 5.5): 38.25; (5)ACD/BCF (pH 7.4): 38.25; (6)ACD/KOC (pH 5.5): 472.58; (7)ACD/KOC (pH 7.4): 472.58; (8)#H bond acceptors: 6; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 75.36Å2; (12)Index of Refraction: 1.606; (13)Molar Refractivity: 48.8 cm3; (14)Molar Volume: 141.4 cm3; (15)Polarizability: 19.34x10-24cm3; (16)Surface Tension: 59.8 dyne/cm; (17)Enthalpy of Vaporization: 62.57 kJ/mol; (18)Boiling Point: 377.9 °C at 760 mmHg; (19)Vapour Pressure: 6.54E-06 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1cc(ccc1N)[N+]([O-])=O
(2)InChI: InChI=1/C8H8N2O4/c1-14-8(11)6-4-5(10(12)13)2-3-7(6)9/h2-4H,9H2,1H3
(3)InChIKey: VOQBLPBLKSXCDB-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C8H8N2O4/c1-14-8(11)6-4-5(10(12)13)2-3-7(6)9/h2-4H,9H2,1H3
(5)Std. InChIKey: VOQBLPBLKSXCDB-UHFFFAOYSA-N
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