Benzoic acid, 2,6-dimethyl-3-nitro- supplier

Name
2,6-dimethyl-3-nitrobenzoic acid
EINECS
CAS No. 6307-70-6
Article Data15
CAS DataBase
Density 1.333 g/cm³
Solubility
Melting Point
Formula C₉H₉NO₄
Boiling Point 358.2 °C at 760 mmHg
Molecular Weight 195.175
Flash Point 158.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,6-Dimethyl-3-nitrobenzoic acid;3-Nitro-2,6-dimethylbenzoic acid;
PSA
LogP

Benzoic acid, 2,6-dimethyl-3-nitro- Specification

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

Product Name

2,6-dimethyl-3-nitrobenzoic acid

Benzoic acid, 2,6-dimethyl-3-nitro- Specification

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