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CAS No.: | 95759-10-7 |
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Name: | 4-Chloro-2-(Z)-methoxycarbonylmethoxyimino-3-oxobutyric acid |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C7H8ClNO6 |
Molecular Weight: | 237.597 |
Synonyms: | 4-chloro-2-(Z)-methoxycarbonyl methoxyimino-3-oxobutyric acid cas:;4-Chioro-2-(Z)-Methoxycarbonyl Methoxyimino-3-Oxobutyric Acid;4-CHIORO-2-(Z)-METHOXYCARBONYL METHOXYIMINO-3-OXOBUTYRIC ACID,=97.5%;4-Chloro-2-(Z)-methoxycarbonylmethoxyimino-3-oxobutyric acid;4-Chloro-2-[(2-methoxy-2-oxoethoxy)imino]-3-oxobutanoic acid;BUTANOICACID,4-CHLORO-2-[(2-METHOXY-2-OXOETHOXY)IMINO]-3-OXO;4-Chioro-2-(Z)-Methoxycarbonyl... |
Density: | 1.47 g/cm3 |
Boiling Point: | 364.8 °C at 760 mmHg |
Flash Point: | 174.4 °C |
PSA: | 102.26000 |
LogP: | -0.57550 |
4-chloro-2-[(methoxycarbonyl)methoxyimino]-3-oxo-butyric acid
Conditions | Yield |
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With sulfuryl dichloride; acetic acid at 30 - 35℃; Large scale; | 110 kg |
4-chloro-2-[(methoxycarbonyl)methoxyimino]-3-oxo-butyric acid
Conditions | Yield |
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With trichlorophosphate In tetrahydrofuran; N,N-dimethyl-formamide at -10℃; for 1h; |
4-chloro-2-[(methoxycarbonyl)methoxyimino]-3-oxo-butyric acid
thiourea
Conditions | Yield |
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With sodium acetate In water at 20℃; Large scale; | 80 kg |
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The 4-Chloro-2-(Z)-methoxycarbonylmethoxyimino-3-oxobutyric acid is an organic compound with the formula C7H8ClNO6. The systematic name of this chemical is Butanoic acid, 4-chloro-2-[(2-methoxy-2-oxoethoxy)imino]-3-oxo-. With the CAS registry number 95759-10-7, it is also named as 2-Methoxycarbonylmethoxyimino-4-chloro-3-oxobutyric acid.
Physical properties about 4-Chloro-2-(Z)-methoxycarbonylmethoxyimino-3-oxobutyric acid are: (1)#H bond acceptors: 7; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 7; (4)Polar Surface Area: 102.26 Å2; (5)Index of Refraction: 1.515; (6)Molar Refractivity: 48.45 cm3; (7)Molar Volume: 160.6 cm3; (8)Polarizability: 19.21×10-24cm3; (9)Surface Tension: 49.8 dyne/cm; (10)Density: 1.47 g/cm3; (11)Flash Point: 174.4 °C; (12)Enthalpy of Vaporization: 67.11 kJ/mol; (13)Boiling Point: 364.8 °C at 760 mmHg; (14)Vapour Pressure: 2.58E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(CON=C(C(=O)CCl)C(=O)O)OC
(2)InChI: InChI=1/C7H8ClNO6/c1-14-5(11)3-15-9-6(7(12)13)4(10)2-8/h2-3H2,1H3,(H,12,13)
(3)InChIKey: VKFHPXSFQRCNQW-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C7H8ClNO6/c1-14-5(11)3-15-9-6(7(12)13)4(10)2-8/h2-3H2,1H3,(H,12,13)
(5)Std. InChIKey: VKFHPXSFQRCNQW-UHFFFAOYSA-N