Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Methyl 2-amino-5-nitrobenzoate |
EINECS | N/A |
CAS No. | 3816-62-4 | Density | 1.386 g/cm3 |
PSA | 98.14000 | LogP | 2.06800 |
Solubility | N/A | Melting Point |
167-169 °C |
Formula | C8H8N2O4 | Boiling Point | 377.9 °C at 760 mmHg |
Molecular Weight | 196.163 | Flash Point | 182.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36/37/39 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Anthranilicacid, 5-nitro-, methyl ester (7CI,8CI);2-(Methoxycarbonyl)-4-nitroaniline;5-Nitroanthranilic acid methyl ester;Methyl 2-amino-5-nitrobenzoate;Methyl5-nitro-2-aminobenzoate;Methyl 5-nitroanthranilate; |
Article Data | 21 |
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