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4-Nitroisophathalic acid

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Name

4-Nitroisophathalic acid

EINECS N/A
CAS No. 4315-09-7 Density 1.671 g/cm3
PSA 120.42000 LogP 1.51440
Solubility N/A Melting Point 258-259 °C
Formula C8H5NO6 Boiling Point 492.9 °C at 760 mmHg
Molecular Weight 211.131 Flash Point 222.5 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 4315-09-7 (4-NITROISOPHTHALIC ACID) Hazard Symbols N/A
Synonyms

4-Nitrobenzene-1,3-dicarboxylic acid;4-Nitroisophthalic acid;Isophthalicacid, 4-nitro- (7CI,8CI);1-Nitrobenzene-2,4-dicarboxylic acid;3-Carboxy-4-nitrobenzoic acid;4-Nitrophenyl-1,3-dicarboxylic acid;4-Nitrobenzene-1,3-dicarboxylic acid;

Article Data 38

4-Nitroisophathalic acid Specification

The 1,3-Benzenedicarboxylicacid, 4-nitro-, with the CAS registry number 4315-09-7, is also known as 4-Nitrophenyl-1,3-dicarboxylic acid. This chemical's molecular formula is C8H5NO6 and molecular weight is 211.13. What's more, its systematic name is 4-Nitrobenzene-1,3-dicarboxylic acid.

Physical properties of 1,3-Benzenedicarboxylicacid, 4-nitro- are: (1)ACD/LogP: 1.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.51; (4)ACD/LogD (pH 7.4): -2.56; (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: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 98.42 Å2; (13)Index of Refraction: 1.66; (14)Molar Refractivity: 46.65 cm3; (15)Molar Volume: 126.3 cm3; (16)Polarizability: 18.49×10-24 cm3; (17)Surface Tension: 88 dyne/cm; (18)Density: 1.671 g/cm3; (19)Flash Point: 222.5 °C; (20)Enthalpy of Vaporization: 80.04 kJ/mol; (21)Boiling Point: 492.9 °C at 760 mmHg; (22)Vapour Pressure: 1.56E-10 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
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. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1ccc(cc1C(=O)O)C(=O)O
(2)InChI: InChI=1S/C8H5NO6/c10-7(11)4-1-2-6(9(14)15)5(3-4)8(12)13/h1-3H,(H,10,11)(H,12,13)
(3)InChIKey: OCJFXVHDIVAONP-UHFFFAOYSA-N

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