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CAS No.: | 216144-70-6 |
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Name: | 5-Fluoro-2-(trifluoromethyl)benzoyl chloride |
Molecular Structure: | |
Formula: | C8H3ClF4O |
Molecular Weight: | 226.56 |
Synonyms: | 2-Trifluoromethyl-5-fluorobenzoylchloride;3-Fluoro-6-trifluoromethylbenzoyl chloride;5-Fluoro-2-(trifluoromethyl)benzoylchloride;GVR CF FXFFF;Benzoyl chloride, 5-fluoro-2-(trifluoromethyl)-;5-Fluoro-2-(Trifluoromethyl)Benzoyl Chloride2-Trifluoromethyl-5-Fluorobenzoyl Chloride; |
EINECS: | -0 |
Density: | 1.475 g/cm3 |
Melting Point: | 169 °C(lit.) |
Boiling Point: | 213.2 °C at 760 mmHg |
Flash Point: | 82.8 °C |
Hazard Symbols: | C |
Risk Codes: | 34 |
Safety: | 23-26-36/37/39-45 |
PSA: | 17.07000 |
LogP: | 3.22350 |
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The Benzoyl chloride,5-fluoro-2-(trifluoromethyl)-, with the CAS registry number 216144-70-6, has the systematic name of 5-fluoro-2-(trifluoromethyl)benzoyl chloride. It belongs to the following product categories: Acid Halides; Carbonyl Compounds; Organic Building Blocks. And the molecular formula of the chemical is C8H3ClF4O.
The characteristics of Benzoyl chloride,5-fluoro-2-(trifluoromethyl)- are as followings: (1)ACD/LogP: 3.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.55; (4)ACD/LogD (pH 7.4): 3.55; (5)ACD/BCF (pH 5.5): 292.36; (6)ACD/BCF (pH 7.4): 292.36; (7)ACD/KOC (pH 5.5): 2026.34; (8)ACD/KOC (pH 7.4): 2026.34; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.452; (14)Molar Refractivity: 41.47 cm3; (15)Molar Volume: 153.5 cm3; (16)Polarizability: 16.44×10-24cm3; (17)Surface Tension: 28.7 dyne/cm; (18)Density: 1.475 g/cm3; (19)Flash Point: 82.8 °C; (20)Enthalpy of Vaporization: 44.96 kJ/mol; (21)Boiling Point: 213.2 °C at 760 mmHg; (22)Vapour Pressure: 0.166 mmHg at 25°C.
You should be cautious while dealing with this chemical. It may cause burns. Therefore, you had better take the following instructions: Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer); Wear suitable protective clothing, gloves and eye/face protection; In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: FC(F)(F)c1c(cc(F)cc1)C(Cl)=O
(2)InChI: InChI=1/C8H3ClF4O/c9-7(14)5-3-4(10)1-2-6(5)8(11,12)13/h1-3H
(3)InChIKey: VHTVVTDYYXQDHS-UHFFFAOYAT