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93982-47-9

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Basic Information
CAS No.: 93982-47-9
Name: methyl 4-(1,1,2,2-tetrafluoroethoxy)benzoate
Molecular Structure:
Molecular Structure of 93982-47-9 (methyl 4-(1,1,2,2-tetrafluoroethoxy)benzoate)
Formula: C10H8F4O3
Molecular Weight: 252.1623328
Synonyms: Methyl 4-(1,1,2,2-tetrafluoroethoxy)benzoate;
EINECS: 301-235-4
Density: 1.326g/cm3
Boiling Point: 255.7 °C at 760 mmHg
Flash Point: 105.3 °C
PSA: 35.53000
LogP: 2.70990
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    Methyl 4-(1,1,2,2-tetrafluoroethoxy)benzoate

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    methyl 4-(1,1,2,2-tetrafluoroethoxy)benzoate

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Specification

The Methyl 4-(1,1,2,2-tetrafluoroethoxy)benzoate with the CAS number 93982-47-9 is also called Benzoic acid,4-(1,1,2,2-tetrafluoroethoxy)-, methyl ester. Its molecular formula is C10H8F4O3. The EINECS registry number is 301-235-4. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 3.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.53; (4)ACD/LogD (pH 7.4): 3.53; (5)ACD/BCF (pH 5.5): 284.95; (6)ACD/BCF (pH 7.4): 284.95; (7)ACD/KOC (pH 5.5): 1989.41; (8)ACD/KOC (pH 7.4): 1989.41; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.438; (14)Molar Refractivity: 49.91 cm3; (15)Molar Volume: 190 cm3; (16)Polarizability: 19.78×10-24cm3; (17)Surface Tension: 28.4 dyne/cm; (18)Enthalpy of Vaporization: 49.31 kJ/mol; (19)Vapour Pressure: 0.0161 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(Oc1ccc(cc1)C(=O)OC)C(F)F
(2)InChI: InChI=1/C10H8F4O3/c1-16-8(15)6-2-4-7(5-3-6)17-10(13,14)9(11)12/h2-5,9H,1H3
(3)InChIKey: XBSLEPDQBBJDSJ-UHFFFAOYAB