CAS No.216144-68-2,3-fluoro-4-(trifluoromethyl)benzoyl chloride Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	216144-68-2
Name:	3-fluoro-4-(trifluoromethyl)benzoyl chloride
Article Data:	3

Formula:	C₈H₃ClF₄O
Molecular Weight:	226.558
Synonyms:	3-Fluoro-4-trifluoromethylbenzoylchloride;
EINECS:	-0
Density:	1.475 g/cm³
Melting Point:	152 ºC
Boiling Point:	217.5 °C at 760 mmHg
Flash Point:	85.4 °C
Solubility:	Not miscible or difficult to mix in water.
Appearance:	clear colorless to yellow liquid
Hazard Symbols:	C
Risk Codes:	34
Safety:	23-26-36/37/39-45
PSA:	17.07000
LogP:	3.22350

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Specification

The Benzoylchloride, 3-fluoro-4-(trifluoromethyl)-, with the CAS registry number 216144-68-2, is also known as α,α,α,3-Tetrafluoro-p-toluoyl chloride. It belongs to the product categories of Acid Halides; Carbonyl Compounds; Organic Building Blocks. This chemical's molecular formula is C₈H₃ClF₄O and molecular weight is 226.5554. What's more, both its IUPAC name and systematic name are the same which is called 3-Fluoro-4-(trifluoromethyl)benzoyl chloride.

Physical properties about Benzoylchloride, 3-fluoro-4-(trifluoromethyl)- are: (1)ACD/LogP: 3.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.45; (4)ACD/LogD (pH 7.4): 3.45; (5)ACD/BCF (pH 5.5): 248.76; (6)ACD/BCF (pH 7.4): 248.76; (7)ACD/KOC (pH 5.5): 1805.14; (8)ACD/KOC (pH 7.4): 1805.14; (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: 85.4 °C; (20)Enthalpy of Vaporization: 45.39 kJ/mol; (21)Boiling Point: 217.5 °C at 760 mmHg; (22)Vapour Pressure: 0.132 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it may destroy living tissue on contact. In addition, this chemical may cause burns. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, in case of accident or if you feel unwell, you should seek medical advice immediately (show the label where possible). In addition, do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer). What's more, it must be stored in airtight containers and placed in a dry, ventilated place.

You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)c1ccc(cc1F)C(Cl)=O
(2) InChI: InChI=1/C8H3ClF4O/c9-7(14)4-1-2-5(6(10)3-4)8(11,12)13/h1-3H
(3) InChIKey: DPDAEMNQJYDHRQ-UHFFFAOYAH