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CAS No.: | 71516-67-1 |
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Name: | 2,4-DICHLOROACETOPHENONE OXIME |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C8H7Cl2NO |
Molecular Weight: | 204.056 |
Synonyms: | 2,4-Dichloroacetophenoneoxime;NSC 405621;(1E)-1-(2,4-dichlorophenyl)ethanone oxime;(NE)-N-[1-(2,4-dichlorophenyl)ethylidene]hydroxylamine;1-(2,4-dichlorophenyl)ethan-1-one oxime; |
Density: | 1.33 g/cm3 |
Melting Point: | 148 °C |
Boiling Point: | 311.1 °C at 760 mmHg |
Flash Point: | 141.9 °C |
Appearance: | white crystals. |
Hazard Symbols: | Xi |
PSA: | 32.59000 |
LogP: | 3.19160 |
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The Ethanone,1-(2,4-dichlorophenyl)-, oxime, with the CAS registry number 71516-67-1, has the systematic name of (1E)-1-(2,4-dichlorophenyl)ethanone oxime. It is a kind of irritant chemical, and the molecular formula of the chemical is C8H7Cl2NO.
The characteristics of Ethanone,1-(2,4-dichlorophenyl)-, oxime are as followings: (1)ACD/LogP: 2.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.61; (4)ACD/LogD (pH 7.4): 2.61; (5)ACD/BCF (pH 5.5): 56.91; (6)ACD/BCF (pH 7.4): 56.91; (7)ACD/KOC (pH 5.5): 628.06; (8)ACD/KOC (pH 7.4): 627.96; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 21.59 Å2; (13)Index of Refraction: 1.566; (14)Molar Refractivity: 49.78 cm3; (15)Molar Volume: 152.5 cm3; (16)Polarizability: 19.73×10-24cm3; (17)Surface Tension: 40.2 dyne/cm; (18)Density: 1.33 g/cm3; (19)Flash Point: 141.9 °C; (20)Enthalpy of Vaporization: 58.28 kJ/mol; (21)Boiling Point: 311.1 °C at 760 mmHg; (22)Vapour Pressure: 0.000247 mmHg at 25°C.
Uses of Ethanone,1-(2,4-dichlorophenyl)-, oxime: It can react with 2,4-bis-(4-methoxy-phenyl)-cyclodiphosphathiane 2,4-disulfide to produce 3-(2,4-dichloro-phenyl)-5-(4-methoxy-phenyl)-4H-[1,2,5]oxazaphosphole 5-sulfide. This reaction will need reagent 2N NaOH and hexadecyl(tributyl)phosphonium bromide, and the menstruum H2O and CH2Cl2. The reaction temperature is 20°C, and the yield is about 63%.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1cc(Cl)ccc1\C(=N\O)C
(2)InChI: InChI=1/C8H7Cl2NO/c1-5(11-12)7-3-2-6(9)4-8(7)10/h2-4,12H,1H3/b11-5+
(3)InChIKey: SIHFUCIFLOLJFU-VZUCSPMQBA