CAS No.4315-09-7,4-NITROISOPHTHALIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4315-09-7
Name:	4-NITROISOPHTHALIC ACID
Article Data:	38

Formula:	C₈H₅NO₆
Molecular Weight:	211.131
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;
Density:	1.671 g/cm³
Melting Point:	258-259 °C
Boiling Point:	492.9 °C at 760 mmHg
Flash Point:	222.5 °C
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	120.42000
LogP:	1.51440

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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^-24cm³; (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