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Name |
Benzoic acid, 2,6-dimethyl-3-nitro- |
EINECS | N/A |
CAS No. | 6307-70-6 | Density | 1.333 g/cm3 |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H9NO4 | Boiling Point | 358.2 °C at 760 mmHg |
Molecular Weight | 195.175 | Flash Point | 158.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2,6-Dimethyl-3-nitrobenzoic acid;3-Nitro-2,6-dimethylbenzoic acid; |
Article Data | 15 |
The Benzoic acid, 2,6-dimethyl-3-nitro-, with the CAS registry number 6307-70-6, is also known as 3-Nitro-2,6-dimethylbenzoic acid. This chemical's molecular formula is C9H9NO4 and molecular weight is 195.17. What's more, its systematic name is 2,6-dimethyl-3-nitrobenzoic acid.
Physical properties of Benzoic acid, 2,6-dimethyl-3-nitro- are: (1)ACD/LogP: 2.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.15; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.9; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 72.12 Å2; (12)Index of Refraction: 1.589; (13)Molar Refractivity: 49.37 cm3; (14)Molar Volume: 146.3 cm3; (15)Polarizability: 19.57×10-24cm3; (16)Surface Tension: 55.8 dyne/cm; (17)Density: 1.333 g/cm3; (18)Flash Point: 158.7 °C; (19)Enthalpy of Vaporization: 63.69 kJ/mol; (20)Boiling Point: 358.2 °C at 760 mmHg; (21)Vapour Pressure: 9.41E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1ccc(c(C(=O)O)c1C)C
(2)InChI: InChI=1S/C9H9NO4/c1-5-3-4-7(10(13)14)6(2)8(5)9(11)12/h3-4H,1-2H3,(H,11,12)
(3)InChIKey: GOGALNMBJIGJNW-UHFFFAOYSA-N