CAS No.13280-60-9,5-Amino-2-nitrobenzoic acid Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	13280-60-9
Name:	5-Amino-2-nitrobenzoic acid
Article Data:	17

Formula:	C₇H₆N₂O₄
Molecular Weight:	182.136
Synonyms:	2-Nitro-5-aminobenzoicacid;3-Carboxy-4-nitroaniline;NSC 74455;
EINECS:	236-283-4
Density:	1.568 g/cm³
Melting Point:	236-238 °C(lit.)
Boiling Point:	481.3 °C at 760 mmHg
Flash Point:	244.9 °C
Solubility:	insoluble in water
Appearance:	Yellow powder
Hazard Symbols:	Xn
Risk Codes:	36/37/38-22
Safety:	26-36/37/39
PSA:	109.14000
LogP:	1.97960

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Specification

The Benzoic acid,5-amino-2-nitro-, with the CAS registry number 13280-60-9 and EINECS registry number 236-283-4, has the systematic name of 5-amino-2-nitrobenzoic acid. It is a kind of yellow powder, and it is insoluble in water. And the molecular formula of the chemical is C₇H₆N₂O₄.

The characteristics of Benzoic acid,5-amino-2-nitro- are as followings: (1)ACD/LogP: 1.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.66; (4)ACD/LogD (pH 7.4): -1.98; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 75.36 Å²; (13)Index of Refraction: 1.681; (14)Molar Refractivity: 43.96 cm³; (15)Molar Volume: 116 cm³; (16)Polarizability: 17.42×10^-24cm³; (17)Surface Tension: 83.3 dyne/cm; (18)Density: 1.568 g/cm³; (19)Flash Point: 244.9 °C; (20)Enthalpy of Vaporization: 78.57 kJ/mol; (21)Boiling Point: 481.3 °C at 760 mmHg; (22)Vapour Pressure: 4.5E-10 mmHg at 25°C.

Preparation and uses of Benzoic acid,5-amino-2-nitro-: This chemical can be prepared by 3-methyl-4-nitro acetanilide by oxidation, acidification. And it is always used to produce 3-phenyl acetyl-6- nitrobenzoic acid.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin, and it is also harmful if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=[N+]([O-])c1c(cc(N)cc1)C(=O)O
(2)InChI: InChI=1/C7H6N2O4/c8-4-1-2-6(9(12)13)5(3-4)7(10)11/h1-3H,8H2,(H,10,11)
(3)InChIKey: KZZWQCKYLNIOBT-UHFFFAOYAT