Methyl 3-Methyl-2-Nitrobenzoate supplier

Name
Methyl 3-methyl-2-nitrobenzoate
EINECS
CAS No. 5471-82-9
Article Data20
CAS DataBase
Density 1.255 g/cm³
Solubility
Melting Point 72-73 °C
Formula C₉H₉NO₄
Boiling Point 286.3 °C at 760 mmHg
Molecular Weight 195.175
Flash Point 128.4 °C
Transport Information
Appearance White or yellowish crystal powder
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms m-Toluicacid, 2-nitro-, methyl ester (6CI);2-Nitro-3-methylbenzoic acid methyl ester;3-Methyl-2-nitrobenzoic acid methyl ester;NSC28461;
PSA 72.12000
LogP 2.21300

Methyl 3-Methyl-2-Nitrobenzoate Specification

The IUPAC name of this chemical is Methyl 3-Methyl-2-Nitrobenzoate. With the CAS registry number 5471-82-9, it is also named as Benzoic acid,3-methyl-2-nitro-,methyl ester. In addition, the formula is C₉H₉NO₄ and the molecular weight is 195.17. It belongs to the classes of Blocks; Carboxes; Aromatic Esters; Esters; Phenyls & Phenyl-Het; Phenyls & Phenyl-Het. What's more, it is a kind of white or yellowish crystal powder.

Physical properties about Methyl 3-Methyl-2-Nitrobenzoate are: (1)ACD/LogP: 2.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.12; (4)ACD/LogD (pH 7.4): 2.12; (5)ACD/BCF (pH 5.5): 23.89; (6)ACD/BCF (pH 7.4): 23.89; (7)ACD/KOC (pH 5.5): 337.39; (8)ACD/KOC (pH 7.4): 337.39; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 72.12 Å²; (13)Index of Refraction: 1.548; (14)Molar Refractivity: 49.39 cm³; (15)Molar Volume: 155.4 cm³; (16)Polarizability: 19.58 ×10^-24cm³; (17)Surface Tension: 46.1 dyne/cm; (18)Density: 1.255 g/cm³; (19)Flash Point: 128.4 °C; (20)Enthalpy of Vaporization: 52.54 kJ/mol; (21)Boiling Point: 286.3 °C at 760 mmHg; (22)apour Pressure: 0.00267 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1c(cccc1C)C(=O)OC
(2)InChI: InChI=1/C9H9NO4/c1-6-4-3-5-7(9(11)14-2)8(6)10(12)13/h3-5H,1-2H3
(3)InChIKey: NJHDBIXFFZVJGZ-UHFFFAOYAT

Product Name

Methyl 3-methyl-2-nitrobenzoate

Methyl 3-Methyl-2-Nitrobenzoate Specification

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