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CAS No.: | 36138-28-0 |
---|---|
Name: | Methyl 3-chloro-5-nitrobenzoate |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C8H6ClNO4 |
Molecular Weight: | 215.593 |
Synonyms: | 3-Chloro-5-nitrobenzoicacid methyl ester;Methyl 3-chloro-5-nitrobenzoate; |
Density: | 1.426 g/cm3 |
Boiling Point: | 314 °C at 760 mmHg |
Flash Point: | 143.7 °C |
Hazard Symbols: | Xi |
PSA: | 72.12000 |
LogP: | 2.55800 |
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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