-
Name
ETHYL 2,2-DIFLUORO-2-(2-PYRIDYL)ACETATE
- EINECS
- CAS No. 267876-28-8
- Article Data33
- CAS DataBase
- Density 1.229 g/cm3
- Solubility
- Melting Point
- Formula C9H9F2NO2
- Boiling Point 244.162 °C at 760 mmHg
- Molecular Weight 201.173
- Flash Point 101.466 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols F
- Synonyms Ethyl2,2-difluoro-2-(2-pyridyl)acetate;Ethyl 2-(2-pyridyl)-2,2-difluoroacetate;Ethyl 2-pyridinyl-a,a-difluoroacetate;Ethyl2-pyridyldifluoroacetate;2-pyridineacetic acid, α,α-difluoro-, ethyl ester;ethyl difluoro(pyridin-2-yl)acetate;Ethyldifluor(pyridin-2-yl)acetat;
- PSA 39.19000
- LogP 1.73650
Ethyl difluoro(pyridin-2-yl)acetate Specification
The 2-Pyridineacetic acid, a,a-difluoro-, ethyl ester, with the CAS registry number 267876-28-8, has the systematic name of ethyl difluoro(pyridin-2-yl)acetate. It belongs to the product category of Pharmacetical. And the molecular formula of this chemical is C9H9F2NO2.
The physical properties of 2-Pyridineacetic acid, a,a-difluoro-, ethyl ester are as following: (1)ACD/LogP: 1.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 10; (6)ACD/BCF (pH 7.4): 10; (7)ACD/KOC (pH 5.5): 179; (8)ACD/KOC (pH 7.4): 179; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 39.19 Å2; (13)Index of Refraction: 1.46; (14)Molar Refractivity: 44.834 cm3; (15)Molar Volume: 163.722 cm3; (16)Polarizability: 17.773×10-24cm3; (17)Surface Tension: 33.27 dyne/cm; (18)Density: 1.229 g/cm3; (19)Flash Point: 101.466 °C; (20)Enthalpy of Vaporization: 48.12 kJ/mol; (21)Boiling Point: 244.162 °C at 760 mmHg; (22)Vapour Pressure: 0.031 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(c1ncccc1)C(=O)OCC
(2)InChI: InChI=1/C9H9F2NO2/c1-2-14-8(13)9(10,11)7-5-3-4-6-12-7/h3-6H,2H2,1H3
(3)InChIKey: AHLZMMPDDACOQX-UHFFFAOYAU
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