Ethyl (3R,S)-2,2-difluoro-3-hydroxy-3-(2,2-dimethyldioxolan-4-yl)propionate supplier

Name
Ethyl (3R,S)-2,2-difluoro-3-hydroxy-3-(2,2-dimethyldioxolan-4-yl)propionate
EINECS 1312995-182-4
CAS No. 95058-92-7
Article Data1
CAS DataBase
Density 1.232 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₆F₂O₅
Boiling Point 338.388 °C at 760 mmHg
Molecular Weight 254.231
Flash Point 158.451 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-(2,2-Dimethyl[1,3]dioxolan-4-yl)-2,2-difluora-3-hydroxy-propionic acid ethyl ester;
PSA 64.99000
LogP 0.69720

Ethyl (3R,S)-2,2-difluoro-3-hydroxy-3-(2,2-dimethyldioxolan-4-yl)propionate Specification

The CAS register number of D-erythro-Pentonicacid, 2-deoxy-2,2-difluoro-4,5-O-(1-methylethylidene)-, ethyl ester is 95058-92-7. It also can be called as 3-(2,2-Dimethyl[1,3]dioxolan-4-yl)-2,2-difluora-3-hydroxy-propionic acid ethyl ester and the systematic name about this chemical is ethyl 2-deoxy-2,2-difluoro-4,5-O-(1-methylethylidene)-D-erythro-pentonate. The molecular formula about this chemical is C₁₀H₁₆F₂O₅and the molecular weight is 254.23. It belongs to the following product categories, such as Intermediates of Gemcitabine; API intermediates and so on.

Physical properties about D-erythro-Pentonicacid, 2-deoxy-2,2-difluoro-4,5-O-(1-methylethylidene)-, ethyl ester are: (1)ACD/LogP: 1.30; (2)#H bond acceptors: 5; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 6; (5)Polar Surface Area: 64.99Å²; (6)Index of Refraction: 1.428; (7)Molar Refractivity: 53.1 cm³; (8)Molar Volume: 206.272 cm³; (9)Polarizability: 21.051x10^-24cm³; (10)Surface Tension: 32.09 dyne/cm; (11)Flash Point: 158.451 °C; (12)Enthalpy of Vaporization: 67.391 kJ/mol; (13)Boiling Point: 338.388 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)C(F)(F)[C@H](O)[C@@H]1OC(OC1)(C)C
(2)InChI: InChI=1/C10H16F2O5/c1-4-15-8(14)10(11,12)7(13)6-5-16-9(2,3)17-6/h6-7,13H,4-5H2,1-3H3/t6-,7-/m1/s1
(3)InChIKey: OUFRYOWGFSOSEY-RNFRBKRXBG
(4)Std. InChI: InChI=1S/C10H16F2O5/c1-4-15-8(14)10(11,12)7(13)6-5-16-9(2,3)17-6/h6-7,13H,4-5H2,1-3H3/t6-,7-/m1/s1
(5)Std. InChIKey: OUFRYOWGFSOSEY-RNFRBKRXSA-N

Product Name

Ethyl (3R,S)-2,2-difluoro-3-hydroxy-3-(2,2-dimethyldioxolan-4-yl)propionate

Ethyl (3R,S)-2,2-difluoro-3-hydroxy-3-(2,2-dimethyldioxolan-4-yl)propionate Specification

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