Methyl 3-(chlorocarbonyl)-5-nitrobenzoate supplier

Name
methyl 3-(chlorocarbonyl)-5-nitrobenzoate
EINECS 217-789-4
CAS No. 1955-04-0
Article Data27
CAS DataBase
Density 1.471 g/cm³
Solubility
Melting Point 72.4-74.0 °C
Formula C₉H₆ClNO₅
Boiling Point 369.8 °C at 760 mmHg
Molecular Weight 243.603
Flash Point 177.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzoicacid, 3-(chloroformyl)-5-nitro-, methyl ester (7CI,8CI);3-Carbomethoxy-5-nitrobenzoyl chloride;3-Chlorocarbonyl-5-nitrobenzoic acidmethyl ester;3-Methoxycarbonyl-5-nitrobenzoyl chloride;Methyl3-(chlorocarbonyl)-5-nitrobenzoate;Methyl 3-(chloroformyl)-5-nitrobenzoate;Methyl 5-nitro-3-chloroformylbenzoate;
PSA 89.19000
LogP 2.28360

Methyl 3-(chlorocarbonyl)-5-nitrobenzoate Specification

This chemical is called Methyl 3-(chlorocarbonyl)-5-nitrobenzoate, and it can also be named as 3-Chlorocarbonyl-5-nitro-benzoic acid methyl ester. With the molecular formula of C₉H₆ClNO₅, its molecular weight is 243.60. The CAS registry number of this chemical is 1955-04-0.

Other characteristics of the Methyl 3-(chlorocarbonyl)-5-nitrobenzoate can be summarised as followings: (1)ACD/LogP: 2.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.27; (4)ACD/LogD (pH 7.4): 2.27; (5)ACD/BCF (pH 5.5): 31.05; (6)ACD/BCF (pH 7.4): 31.05; (7)ACD/KOC (pH 5.5): 407.02; (8)ACD/KOC (pH 7.4): 407.02; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 89.19 Å²; (13)Index of Refraction: 1.576; (14)Molar Refractivity: 54.81 cm³; (15)Molar Volume: 165.5 cm³; (16)Polarizability: 21.73×10^-24cm³; (17)Surface Tension: 55.2 dyne/cm; (18)Density: 1.471 g/cm³; (19)Flash Point: 177.5 °C; (20)Enthalpy of Vaporization: 61.67 kJ/mol; (21)Boiling Point: 369.8 °C at 760 mmHg; (22)Vapour Pressure: 1.15E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=[N+]([O-])c1cc(cc(C(Cl)=O)c1)C(=O)OC
2.InChI: InChI=1/C9H6ClNO5/c1-16-9(13)6-2-5(8(10)12)3-7(4-6)11(14)15/h2-4H,1H3
3.InChIKey: DQTOZIJNMYYCJE-UHFFFAOYAV

Product Name

methyl 3-(chlorocarbonyl)-5-nitrobenzoate

Methyl 3-(chlorocarbonyl)-5-nitrobenzoate Specification

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