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2,4-Bis(trifluoromethyl)benzoyl chloride

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Name

2,4-Bis(trifluoromethyl)benzoyl chloride

EINECS N/A
CAS No. 53130-43-1 Density 1.512 g/cm3
PSA 17.07000 LogP 4.10320
Solubility N/A Melting Point N/A
Formula C9H3ClF6O Boiling Point 212.6 °C at 760 mmHg
Molecular Weight 276.566 Flash Point 82.4 °C
Transport Information N/A Appearance N/A
Safety 23-26-36/37/39-45 Risk Codes 34
Molecular Structure Molecular Structure of 53130-43-1 (2,4-Bis(trifluoromethyl)benzoyl chloride) Hazard Symbols CorrosiveC
Synonyms

2,4-Bis(trifluoromethyl)benzoyl chloride;

Article Data 1

2,4-Bis(trifluoromethyl)benzoyl chloride Specification

The CAS registry number of Benzoyl chloride, 2,4-bis(trifluoromethyl)- is 53130-43-1. This chemical's molecular formula is C9H3ClF6O and molecular weight is 276.56. What's more, both its IUPAC name and systematic name are the same which is called 2,4-Bis(trifluoromethyl)benzoyl chloride.

Physical properties about Benzoyl chloride, 2,4-bis(trifluoromethyl)- are: (1)ACD/LogP: 4.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.43; (4)ACD/LogD (pH 7.4): 4.43; (5)ACD/BCF (pH 5.5): 1372.43; (6)ACD/BCF (pH 7.4): 1372.43; (7)ACD/KOC (pH 5.5): 6129.36; (8)ACD/KOC (pH 7.4): 6129.36; (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: 1.421; (14)Molar Refractivity: 46.45 cm3; (15)Molar Volume: 182.8 cm3; (16)Surface Tension: 24.1 dyne/cm; (17)Density: 1.512 g/cm3; (18)Flash Point: 82.4 °C; (19)Enthalpy of Vaporization: 44.89 kJ/mol; (20)Boiling Point: 212.6 °C at 760 mmHg; (21)Vapour Pressure: 0.172 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical may destroy living tissue on contact and cause burns. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. You can not breathe the gas/fumes/vapour/spray. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice. And in case of accident or if you feel unwell seek medical advice immediately.

You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)c1cc(ccc1C(Cl)=O)C(F)(F)F
(2) InChI: InChI=1/C9H3ClF6O/c10-7(17)5-2-1-4(8(11,12)13)3-6(5)9(14,15)16/h1-3H
(3) InChIKey: TZXHEDOCQVTEPT-UHFFFAOYAQ

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