CAS No.85345-86-4,TERT-BUTYL 2-FLUOROACRYLATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	85345-86-4
Name:	TERT-BUTYL 2-FLUOROACRYLATE

Formula:	C₇H₁₁FO₂
Molecular Weight:	146.162
Synonyms:	1,1-Dimethylethyl2-fluoroacrylate;tert-Butyl 2-fluoroacrylate;3-Chloro-2-fluorobenzoylchloride;Butyl fluoroacrylate;
Density:	0.987 g/cm³
Boiling Point:	143.7 °C at 760 mmHg
Flash Point:	40.4 °C
Hazard Symbols:	T,Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	26.30000
LogP:	1.81130

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Specification

The systematic name of 2-Propenoic acid,2-fluoro-, 1,1-dimethylethyl ester is tert-butyl 2-fluoroprop-2-enoate. With the CAS registry number 85345-86-4, it is also named as 1,1-Dimethylethyl2-fluoroacrylate. The product's category is Monomer. In addition, its molecular formula is C₇H₁₁FO₂ and its molecular weight is 146.16.

The other characteristics of 2-Propenoic acid,2-fluoro-, 1,1-dimethylethyl ester can be summarized as: (1)ACD/LogP: 1.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.91; (4)ACD/LogD (pH 7.4): 1.91; (5)ACD/BCF (pH 5.5): 16.72; (6)ACD/BCF (pH 7.4): 16.72; (7)ACD/KOC (pH 5.5): 261.4; (8)ACD/KOC (pH 7.4): 261.4; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.401; (14)Molar Refractivity: 35.95 cm³; (15)Molar Volume: 147.9 cm³; (16)Polarizability: 14.25×10^-24cm³; (17)Surface Tension: 23.3 dyne/cm; (18)Density: 0.987 g/cm³; (19)Flash Point: 40.4 °C; (20)Enthalpy of Vaporization: 38.08 kJ/mol; (21)Boiling Point: 143.7 °C at 760 mmHg; (22)Vapour Pressure: 5.26 mmHg at 25 °C.

Productin of this product: it can be produced by 2-Fluoro-3-(toluene-4-sulfonyloxy)-proπonic acid tert-butyl ester.

This reaction needs Potassium phthalimide at temperature of -78 - 150 °C. The yield is 85 %.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing, gloves and eye/face protection. Moreover, in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)SMILES: F/C(C(=O)OC(C)(C)C)=C
(2)InChI: InChI=1/C7H11FO2/c1-5(8)6(9)10-7(2,3)4/h1H2,2-4H3
(3)InChIKey: PRFZRHRJCVTLFD-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C7H11FO2/c1-5(8)6(9)10-7(2,3)4/h1H2,2-4H3
(5)Std. InChIKey: PRFZRHRJCVTLFD-UHFFFAOYSA-N