Benzoic acid,3-chloro-5-nitro-, methyl ester supplier

Name
Methyl 3-chloro-5-nitrobenzoate
EINECS
CAS No. 36138-28-0
Article Data4
CAS DataBase
Density 1.426 g/cm³
Solubility
Melting Point
Formula C₈H₆ClNO₄
Boiling Point 314 °C at 760 mmHg
Molecular Weight 215.593
Flash Point 143.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 3-Chloro-5-nitrobenzoicacid methyl ester;Methyl 3-chloro-5-nitrobenzoate;
PSA 72.12000
LogP 2.55800

Benzoic acid,3-chloro-5-nitro-, methyl ester Specification

The Benzoic acid,3-chloro-5-nitro-, methyl ester is an organic compound with the formula C₈H₆ClNO₄. The systematic name of this chemical is methyl 3-chloro-5-nitrobenzoate. With the CAS registry number 36138-28-0, the product's categories are Blocks; Carboxes; NitroCompounds.

Physical properties about Benzoic acid,3-chloro-5-nitro-, methyl ester are: (1)ACD/LogP: 2.57; (2)#H bond acceptors: 5; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 72.12 Å²; (5)Index of Refraction: 1.568; (6)Molar Refractivity: 49.46 cm³; (7)Molar Volume: 151.1 cm³; (8)Polarizability: 19.61×10^-24cm³; (9)Surface Tension: 50.8 dyne/cm; (10)Density: 1.426 g/cm³; (11)Flash Point: 143.7 °C; (12)Enthalpy of Vaporization: 55.51 kJ/mol; (13)Boiling Point: 314 °C at 760 mmHg; (14)Vapour Pressure: 0.000479 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1cc(cc(Cl)c1)C(=O)OC
(2)InChI: InChI=1/C8H6ClNO4/c1-14-8(11)5-2-6(9)4-7(3-5)10(12)13/h2-4H,1H3
(3)InChIKey: UYQJTXQJNZMDBI-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C8H6ClNO4/c1-14-8(11)5-2-6(9)4-7(3-5)10(12)13/h2-4H,1H3
(5)Std. InChIKey: UYQJTXQJNZMDBI-UHFFFAOYSA-N

Product Name

Methyl 3-chloro-5-nitrobenzoate

Benzoic acid,3-chloro-5-nitro-, methyl ester Specification

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