CAS No.23218-93-1,3-AMINO-5-NITROBENZOIC ACID METHYL ESTER Suppliers

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Basic Information

Molecular Structure:
CAS No.:	23218-93-1
Name:	3-AMINO-5-NITROBENZOIC ACID METHYL ESTER
Article Data:	15

Formula:	C₈H₈N₂O₄
Molecular Weight:	196.163
Synonyms:	3-Amino-5-nitrobenzoicacid methyl ester;3-Carbomethoxy-5-nitroaniline;Methyl3-amino-5-nitrobenzoate;
Density:	1.386 g/cm³
Melting Point:	165-166°C (dec.)
Boiling Point:	393.1 °C at 760 mmHg
Flash Point:	191.5 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	98.14000
LogP:	2.06800

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- China (Mainland)(20)
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Specification

The Benzoic acid,3-amino-5-nitro-, methyl ester, with the CAS registry number 23218-93-1, is also known as ZINC00248689. This chemical's molecular formula is C₈H₈N₂O₄ and molecular weight is 196.16012. Its IUPAC name is called methyl 3-amino-5-nitrobenzoate.

Physical properties of Benzoic acid,3-amino-5-nitro-, methyl ester: (1)ACD/LogP: 1.34; (2)ACD/LogD (pH 5.5): 1.34; (3)ACD/LogD (pH 7.4): 1.34; (4)ACD/BCF (pH 5.5): 6.14; (5)ACD/BCF (pH 7.4): 6.14; (6)ACD/KOC (pH 5.5): 127.55; (7)ACD/KOC (pH 7.4): 127.56; (8)#H bond acceptors: 6; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.606; (12)Molar Refractivity: 48.8 cm³; (13)Molar Volume: 141.4 cm³; (14)Surface Tension: 59.8 dyne/cm; (15)Density: 1.386 g/cm³; (16)Flash Point: 191.5 °C; (17)Enthalpy of Vaporization: 64.29 kJ/mol; (18)Boiling Point: 393.1 °C at 760 mmHg; (19)Vapour Pressure: 2.18E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1cc(cc(N)c1)C(=O)OC
(2)InChI: InChI=1/C8H8N2O4/c1-14-8(11)5-2-6(9)4-7(3-5)10(12)13/h2-4H,9H2,1H3
(3)InChIKey: HZVBRLJDOZZHFL-UHFFFAOYAM