CAS No.2248-46-6,(ALPHA,ALPHA-DIFLUORO)PHENYLACETIC ACID ETHYL ESTER Suppliers

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Basic Information

Molecular Structure:
CAS No.:	2248-46-6
Name:	(ALPHA,ALPHA-DIFLUORO)PHENYLACETIC ACID ETHYL ESTER
Article Data:	29

Formula:	C₁₀H₁₀F₂O₂
Molecular Weight:	200.185
Synonyms:	Ethyl a,a-difluorophenylacetate;Ethyl phenyldifluoroacetate;Ethyl 2,2-difluoro-2-phenylacetate;2,2-Difluoro-2-phenylacetic acidethyl ester;Aceticacid, difluorophenyl-, ethyl ester (6CI,8CI);
Density:	1.714 g/cm³
Boiling Point:	233.408 °C at 760 mmHg
Flash Point:	92.353 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	26.30000
LogP:	2.34150

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Specification

This chemical is called Ethyl 2,2-difluoro-2-phenylacetate, and its CAS registry number is 2248-46-6. With the molecular formula of C₁₀H₁₀F₂O₂, its molecular weight is 200.18. In addition, this chemical should be sealed in the cool and dry place, away from oxides.

Other characteristics of the Ethyl 2,2-difluoro-2-phenylacetate can be summarised as followings: (1)ACD/LogP: 2.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 134; (6)ACD/BCF (pH 7.4): 134; (7)ACD/KOC (pH 5.5): 1158; (8)ACD/KOC (pH 7.4): 1158; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.461; (14)Molar Refractivity: 46.742 cm³; (15)Molar Volume: 170.499 cm³; (16)Polarizability: 18.53×10^-24cm³; (17)Surface Tension: 30.01 dyne/cm; (18)Density: 1.174 g/cm³; (19)Flash Point: 92.353 °C; (20)Enthalpy of Vaporization: 47.012 kJ/mol; (21)Boiling Point: 233.408 °C at 760 mmHg; (22)Vapour Pressure: 0.056 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: FC(F)(C(=O)OCC)c1ccccc1
2.InChI: InChI=1/C10H10F2O2/c1-2-14-9(13)10(11,12)8-6-4-3-5-7-8/h3-7H,2H2,1H3
3.InChIKey: KCMSDCHUELUJPX-UHFFFAOYAT