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Name |
Benzoic acid,4-iodo-2,6-dinitro- |
EINECS | N/A |
CAS No. | 95192-58-8 | Density | 2.288 g/cm3 |
PSA | 128.94000 | LogP | 2.85220 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H3IN2O6 | Boiling Point | 434.6 °C at 760 mmHg |
Molecular Weight | 338.015 | Flash Point | 216.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2,6-DINITRO-4-IODOBENZOIC ACID |
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