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4-(Difluoromethoxy)benzoyl chloride

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Name

4-(Difluoromethoxy)benzoyl chloride

EINECS N/A
CAS No. 57320-63-5 Density 1.366 g/cm3
PSA 26.30000 LogP 2.66700
Solubility N/A Melting Point 116-118 ºC
Formula C8H5ClF2O2 Boiling Point 258.5 °C at 760 mmHg
Molecular Weight 206.576 Flash Point 114.1 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 34
Molecular Structure Molecular Structure of 57320-63-5 (4-(Difluoromethoxy)benzoyl chloride) Hazard Symbols CorrosiveC
Synonyms

p-(Difluoromethoxy)benzoyl chloride;4-(Difluoromethoxy)benzoylchloride;

Article Data 3

4-(Difluoromethoxy)benzoyl chloride Specification

The CAS registry number of Benzoyl chloride,4-(difluoromethoxy)- is 57320-63-5. It belongs to the product categories of Carbonyl Chlorides; Phenyls & Phenyl-Het; Carbonyl Chlorides; Phenyls & Phenyl-Het. This chemical's molecular formula is C8H5ClF2O2 and molecular weight is 206.5739. What's more, its systematic name is 4-(Difluoromethoxy)benzoyl chloride.

Physical properties about Benzoyl chloride,4-(difluoromethoxy)- are: (1)ACD/LogP: 2.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.56; (4)ACD/LogD (pH 7.4): 2.56; (5)ACD/BCF (pH 5.5): 51.54; (6)ACD/BCF (pH 7.4): 51.54; (7)ACD/KOC (pH 5.5): 585.05; (8)ACD/KOC (pH 7.4): 585.05; (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: 1.486; (14)Molar Refractivity: 43.46 cm3; (15)Molar Volume: 151.1 cm3; (16)Polarizability: 17.22×10-24cm3; (17)Surface Tension: 33.7 dyne/cm; (18)Density: 1.366 g/cm3; (19)Flash Point: 114.1 °C; (20)Enthalpy of Vaporization: 49.61 kJ/mol; (21)Boiling Point: 258.5 °C at 760 mmHg; (22)Vapour Pressure: 0.0137 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.

You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)Oc1ccc(cc1)C(Cl)=O
(2) InChI: InChI=1/C8H5ClF2O2/c9-7(12)5-1-3-6(4-2-5)13-8(10)11/h1-4,8H
(3) InChIKey: BRXHGTQXWFFHMM-UHFFFAOYAK

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