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58131-64-9

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Basic Information
CAS No.: 58131-64-9
Name: METHYL 2-CHLORO-2-N''-(PHENYL)HYDRAZINO ACETATE
Article Data: 4
Molecular Structure:
Molecular Structure of 58131-64-9 (METHYL 2-CHLORO-2-N''-(PHENYL)HYDRAZINO ACETATE)
Formula: C9H9ClN2O2
Molecular Weight: 212.636
Synonyms: Aceticacid, chloro(phenylhydrazono)-, methyl ester (9CI);2-Chloro-2-[(phenylamino)imino]acetic acid methyl ester;Chloro(phenylhydrazono)acetic acid methyl ester;Methyl a-chloroglyoxylate phenylhydrazone;
Density: 1.246 g/cm3
Melting Point: 102-103 °C
Boiling Point: 293.134 °C at 760 mmHg
Flash Point: 131.083 °C
PSA: 50.69000
LogP: 1.89680
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Specification

The CAS register number of Acetic acid, chloro(phenylhydrazono)-, methyl ester is 58131-64-9. It also can be called as Methyl chloro(phenylhydrazono)acetate and the IUPAC name about this chemical is methyl (2Z)-2-chloro-2-(phenylhydrazinylidene)acetate. The molecular formula about this chemical is C9H9ClN2O2 and the molecular weight is 212.63.

Physical properties about Acetic acid, chloro(phenylhydrazono)-, methyl ester are: (1)ACD/LogP: 1.90; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 65; (5)ACD/BCF (pH 7.4): 65; (6)ACD/KOC (pH 5.5): 691; (7)ACD/KOC (pH 7.4): 690; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 50.69Å2; (12)Index of Refraction: 1.549; (13)Molar Refractivity: 54.236 cm3; (14)Molar Volume: 170.598 cm3; (15)Polarizability: 21.501x10-24cm3; (16)Surface Tension: 41.395 dyne/cm; (17)Enthalpy of Vaporization: 53.268 kJ/mol; (18)Boiling Point: 293.134 °C at 760 mmHg; (19)Vapour Pressure: 0.002 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClOC(=O)/C(=N/Nc1ccccc1)C
(2)InChI: InChI=1/C9H9ClN2O2/c1-7(9(13)14-10)11-12-8-5-3-2-4-6-8/h2-6,12H,1H3/b11-7+
(3)InChIKey: IOZFZRPWGHIGBU-YRNVUSSQBO
(4)Std. InChI: InChI=1S/C9H9ClN2O2/c1-7(9(13)14-10)11-12-8-5-3-2-4-6-8/h2-6,12H,1H3/b11-7+
(5)Std. InChIKey: IOZFZRPWGHIGBU-YRNVUSSQSA-N