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Acetic acid,2-(diphenylphosphino)-, ethyl ester CAS NO.55552-24-4
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Keywords
- Ethyl diphenylphosphinoacetate
- Diphenyl(ethoxycarbonylmethyl)phosphine
- Diphenyl(ethoxycarbonylmethyl)phosphine
Quick Details
- ProName: Acetic acid,2-(diphenylphosphino)-, et...
- CasNo: 55552-24-4
- Application: The Acetic acid,2-(diphenylphosphino)-...
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- Purity: 99
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Superiority
The Acetic acid,2-(diphenylphosphino)-, ethyl ester, with CAS registry number 55552-24-4, has the systematic name of ethyl (diphenylphosphanyl)acetate. Besides this, it is also called (Ethoxycarbonylmethyl)diphenylphosphine. And the chemical formula of this chemical is C16H17O2P. What's more, its EINECS is 259-703-8.
Physical properties of Acetic acid,2-(diphenylphosphino)-, ethyl ester: (1)ACD/LogP: 4.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.95; (4)ACD/LogD (pH 7.4): 4.95; (5)ACD/BCF (pH 5.5): 3426.56; (6)ACD/BCF (pH 7.4): 3426.56; (7)ACD/KOC (pH 5.5): 11799.01; (8)ACD/KOC (pH 7.4): 11799.01; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 39.89 Å2; (13)Flash Point: 176.2 °C; (14)Enthalpy of Vaporization: 61.43 kJ/mol; (15)Boiling Point: 367.7 °C at 760 mmHg; (16)Vapour Pressure: 1.34E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)CP(c1ccccc1)c2ccccc2
(2)InChI: InChI=1/C16H17O2P/c1-2-18-16(17)13-19(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3
(3)InChIKey: PSFGJGLKZFVIHY-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C16H17O2P/c1-2-18-16(17)13-19(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3
(5)Std. InChIKey: PSFGJGLKZFVIHY-UHFFFAOYSA-N
Details
The Acetic acid,2-(diphenylphosphino)-, ethyl ester, with CAS registry number 55552-24-4, has the systematic name of ethyl (diphenylphosphanyl)acetate. Besides this, it is also called (Ethoxycarbonylmethyl)diphenylphosphine. And the chemical formula of this chemical is C16H17O2P. What's more, its EINECS is 259-703-8.
Physical properties of Acetic acid,2-(diphenylphosphino)-, ethyl ester: (1)ACD/LogP: 4.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.95; (4)ACD/LogD (pH 7.4): 4.95; (5)ACD/BCF (pH 5.5): 3426.56; (6)ACD/BCF (pH 7.4): 3426.56; (7)ACD/KOC (pH 5.5): 11799.01; (8)ACD/KOC (pH 7.4): 11799.01; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 39.89 Å2; (13)Flash Point: 176.2 °C; (14)Enthalpy of Vaporization: 61.43 kJ/mol; (15)Boiling Point: 367.7 °C at 760 mmHg; (16)Vapour Pressure: 1.34E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)CP(c1ccccc1)c2ccccc2
(2)InChI: InChI=1/C16H17O2P/c1-2-18-16(17)13-19(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3
(3)InChIKey: PSFGJGLKZFVIHY-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C16H17O2P/c1-2-18-16(17)13-19(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3
(5)Std. InChIKey: PSFGJGLKZFVIHY-UHFFFAOYSA-N