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CAS No.: | 27171-88-6 |
---|---|
Name: | ETHYL 2-CHLORO-2-[2-(4-METHYLPHENYL)HYDRAZONO]ACETATE |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C11H13ClN2O2 |
Molecular Weight: | 240.689 |
Synonyms: | Aceticacid, chloro[(4-methylphenyl)hydrazono]-, ethyl ester (9CI);Glyoxylic acid,chloro-, ethyl ester, 2-(p-tolylhydrazone) (8CI);2-Chloro-2-[[(4-methylphenyl)amino]imino]acetic acid ethyl ester;Chloro[(4-methylphenyl)hydrazono]acetic acid ethyl ester;Ethyl 2-chloro-2-[(4-tolyl)hydrazono]acetate;Ethyl chloro[(4-methylphenyl)hydrazono]acetate; |
Density: | 1.19 g/cm3 |
Melting Point: | 142-143 ºC |
Boiling Point: | 325 °C at 760 mmHg |
Flash Point: | 150.4 °C |
Hazard Symbols: | Xi |
PSA: | 50.69000 |
LogP: | 2.59530 |
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The Acetic acid,2-chloro-2-[2-(4-methylphenyl)hydrazinylidene]-, ethyl ester, with the CAS registry number 27171-88-6, is also known as 2-Chloro-2-[[(4-methylphenyl)amino]imino]acetic acid ethyl ester. This chemical's molecular formula is C11H13ClN2O2 and molecular weight is 240.69. What's more, its systematic name is ethyl chloro[(4-methylphenyl)hydrazono]acetate.
Physical properties of Acetic acid,2-chloro-2-[2-(4-methylphenyl)hydrazinylidene]-, ethyl ester are: (1)ACD/LogP: 3.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.68; (4)ACD/BCF (pH 5.5): 368.5; (5)ACD/BCF (pH 7.4): 368.49; (6)ACD/KOC (pH 5.5): 2391.43; (7)ACD/KOC (pH 7.4): 2391.39; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 41.9 Å2; (12)Index of Refraction: 1.538; (13)Molar Refractivity: 63.26 cm3; (14)Molar Volume: 201.9 cm3; (15)Surface Tension: 38.2 dyne/cm; (16)Density: 1.19 g/cm3; (17)Flash Point: 150.4 °C; (18)Enthalpy of Vaporization: 56.71 kJ/mol; (19)Boiling Point: 325 °C at 760 mmHg; (20)Vapour Pressure: 0.000237 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)C(Cl)=NNc1ccc(cc1)C
(2)InChI: InChI=1S/C11H13ClN2O2/c1-3-16-11(15)10(12)14-13-9-6-4-8(2)5-7-9/h4-7,13H,3H2,1-2H3
(3)InChIKey: IZJHYJDZIJLTOD-UHFFFAOYSA-N