Benzoic acid,2,4-dimethyl-5-nitro- supplier

Name
Benzoic acid, 2,4-dimethyl-5-nitro- (9CI)
EINECS
CAS No. 220504-75-6
Article Data4
CAS DataBase
Density 1.333 g/cm³
Solubility
Melting Point
Formula C₉H₉NO₄
Boiling Point 371.4 °C at 760 mmHg
Molecular Weight 195.175
Flash Point 165.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzoic acid, 2,4-dimethyl-5-nitro- (9CI);
PSA 83.12000
LogP 2.43300

Benzoic acid,2,4-dimethyl-5-nitro- Specification

The Benzoic acid,2,4-dimethyl-5-nitro-, with the CAS registry number of 220504-75-6, is also known as Benzoic acid, 2,4-dimethyl-5-nitro- (9CI). It belongs to the product category of Aminoacid. This chemical's molecular formula is C₉H₉NO₄ and molecular weight is 195.17206. What's more, its IUPAC name is 2,4-Dimethyl-5-nitrobenzoic acid.

Physical properties about the Benzoic acid,2,4-dimethyl-5-nitro- are: (1)ACD/LogP: 2.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.63; (4)ACD/LogD (pH 7.4): -0.36; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.64; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 72.12 Å²; (13)Index of Refraction: 1.589; (14)Molar Refractivity: 49.37 cm³; (15)Molar Volume: 146.3 cm³; (16)Surface Tension: 55.8 dyne/cm; (17)Density: 1.333 g/cm³; (18)Flash Point: 165.1 °C; (19)Enthalpy of Vaporization: 65.24 kJ/mol; (20)Boiling Point: 371.4 °C at 760 mmHg; (21)Vapour Pressure: 3.57E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=[N+]([O-])c1cc(c(cc1C)C)C(=O)O
(2) InChI: InChI=1/C9H9NO4/c1-5-3-6(2)8(10(13)14)4-7(5)9(11)12/h3-4H,1-2H3,(H,11,12)
(3) InChIKey: OVWSQNZKIRGLMK-UHFFFAOYAS

Product Name

Benzoic acid, 2,4-dimethyl-5-nitro- (9CI)

Benzoic acid,2,4-dimethyl-5-nitro- Specification

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