CAS No.57113-91-4,Methyl 2-amino-3-nitrobenzoate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	57113-91-4
Name:	Methyl 2-amino-3-nitrobenzoate
Article Data:	19

Formula:	C₈H₈N₂O₄
Molecular Weight:	198.178
Synonyms:	Anthranilicacid, 3-nitro-, methyl ester (7CI);2-Amino-3-nitrobenzoic acid methyl ester;Methyl 2-Amino-3-nitrobenzoate;Methyl 3-nitroanthranilate;
EINECS:	671-056-7
Density:	1.386 g/cm³
Melting Point:	97-98°C
Boiling Point:	340.1 °C at 760 mmHg
Flash Point:	159.5 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	98.14000
LogP:	2.06800

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Specification

This chemical is called Methyl 2-amino-3-nitrobenzoate, and its CAS registry number is 57113-91-4. With the molecular formula of C₈H₈N₂O₄, its product categories are Drug Intermediates; Aromatics; Aromatic Esters; Benzoic Acid. Additionally, this chemical should be sealed in the cool and dry place.

Other characteristics of the Methyl 2-amino-3-nitrobenzoate can be summarised as followings: (1)ACD/LogP: 2.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.83; (4)ACD/LogD (pH 7.4): 2.83; (5)ACD/BCF (pH 5.5): 82.61; (6)ACD/BCF (pH 7.4): 82.61; (7)ACD/KOC (pH 5.5): 820.04; (8)ACD/KOC (pH 7.4): 820.04; (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: 159.5 °C; (20)Enthalpy of Vaporization: 58.36 kJ/mol; (21)Boiling Point: 340.1 °C at 760 mmHg; (22)Vapour Pressure: 8.82E-05 mmHg at 25°C.

Uses of this chemical: The 2,3-diamino-benzoic acid methyl ester could be obtained by the reactant of Methyl 2-amino-3-nitrobenzoate. This reaction needs the reagent of H₂, and the solvent of methanol. The yield is 94 %.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting 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=[N+]([O-])c1cccc(C(=O)OC)c1N
2.InChI:InChI=1/C8H8N2O4/c1-14-8(11)5-3-2-4-6(7(5)9)10(12)13/h2-4H,9H2,1H3
3.InChIKey: HDCLJQZLTMJECA-UHFFFAOYAN