Benzoic acid,4-methoxy-2-nitro-, methyl ester supplier

Name
4-METHOXY-2-NITRO-BENZOIC ACID METHYL ESTER
EINECS
CAS No. 181871-73-8
Article Data4
CAS DataBase
Density 1.294 g/cm³
Solubility
Melting Point
Formula C₉H₉NO₅
Boiling Point 336 °C at 760 mmHg
Molecular Weight 211.174
Flash Point 158.5 °C
Transport Information
Appearance
Safety
Risk Codes Xi:;
Molecular Structure
Hazard Symbols Xi
Synonyms 4-Methoxy-2-nitrobenzoic acid methyl ester;Methyl 4-methoxy-2-nitrobenzoate;
PSA 81.35000
LogP 1.91320

Benzoic acid,4-methoxy-2-nitro-, methyl ester Specification

This product is an organic compound with the formula C₉H₉NO₅. The systematic name of this chemical is Benzoic acid,4-methoxy-2-nitro-, methyl ester. With the CAS registry number 181871-73-8, it is also named as 4-Methoxy-2-nitrobenzoic acid methyl ester. In addition, the molecular weight is 211.17 and it belongs to the product categories of Blocks; Carboxes.

Physical properties of Benzoic acid,4-methoxy-2-nitro-, methyl ester are: (1)ACD/LogP: 2.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.03; (4)ACD/LogD (pH 7.4): 2.03; (5)#H bond acceptors: 6; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 81.35 Å²; (9)Index of Refraction: 1.54; (10)Molar Refractivity: 51.25 cm³; (11)Molar Volume: 163.1 cm³; (12)Polarizability: 20.31×10^-24cm³; (13)Surface Tension: 45.7 dyne/cm; (14)Density: 1.294 g/cm³; (15)Flash Point: 158.5 °C; (16)Enthalpy of Vaporization: 57.91 kJ/mol; (17)Boiling Point: 336 °C at 760 mmHg; (18)Vapour Pressure: 0.000116 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccc(c(c1)[N+]([O-])=O)C(=O)OC
(2)InChI: InChI=1/C9H9NO5/c1-14-6-3-4-7(9(11)15-2)8(5-6)10(12)13/h3-5H,1-2H3
(3)InChIKey: APKDQNMBIHKQSF-UHFFFAOYSA-N

Product Name

4-METHOXY-2-NITRO-BENZOIC ACID METHYL ESTER

Benzoic acid,4-methoxy-2-nitro-, methyl ester Specification

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