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95192-58-8

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Basic Information
CAS No.: 95192-58-8
Name: 2,6-DINITRO-4-IODOBENZOIC ACID
Molecular Structure:
Molecular Structure of 95192-58-8 (2,6-DINITRO-4-IODOBENZOIC ACID)
Formula: C7H3IN2O6
Molecular Weight: 338.015
Synonyms: 2,6-DINITRO-4-IODOBENZOIC ACID
Density: 2.288 g/cm3
Boiling Point: 434.6 °C at 760 mmHg
Flash Point: 216.6 °C
PSA: 128.94000
LogP: 2.85220
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Specification

The Benzoic acid,4-iodo-2,6-dinitro- is an organic compound with the formula C7H3IN2O6. The systematic name of this chemical is 4-iodo-2,6-dinitrobenzoic acid. With the CAS registry number 95192-58-8, it is also named as 2,6-Dinitro-4-iodobenzoic acid.

Physical properties about Benzoic acid,4-iodo-2,6-dinitro- are: (1)ACD/LogP: 2.20; (2)ACD/LogD (pH 5.5): -0.93; (3)ACD/LogD (pH 7.4): -0.95; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 8; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 117.94 Å2; (12)Index of Refraction: 1.733; (13)Molar Refractivity: 59.18 cm3; (14)Molar Volume: 147.7 cm3; (15)Polarizability: 23.46×10-24cm3; (16)Surface Tension: 90.7 dyne/cm; (17)Density: 2.288 g/cm3; (18)Flash Point: 216.6 °C; (19)Enthalpy of Vaporization: 72.81 kJ/mol; (20)Boiling Point: 434.6 °C at 760 mmHg; (21)Vapour Pressure: 2.54E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1c(c(cc(I)c1)[N+]([O-])=O)C(=O)O
(2)InChI: InChI=1/C7H3IN2O6/c8-3-1-4(9(13)14)6(7(11)12)5(2-3)10(15)16/h1-2H,(H,11,12)
(3)InChIKey: ICBYGRQHOGFPOM-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C7H3IN2O6/c8-3-1-4(9(13)14)6(7(11)12)5(2-3)10(15)16/h1-2H,(H,11,12)
(5)Std. InChIKey: ICBYGRQHOGFPOM-UHFFFAOYSA-N