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| CAS No.: | 57320-63-5 |
|---|---|
| Name: | 4-(Difluoromethoxy)benzoyl chloride |
| Article Data: | 3 |
| Molecular Structure: | |
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|
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| Formula: | C8H5ClF2O2 |
| Molecular Weight: | 206.576 |
| Synonyms: | p-(Difluoromethoxy)benzoyl chloride;4-(Difluoromethoxy)benzoylchloride; |
| Density: | 1.366 g/cm3 |
| Melting Point: | 116-118 ºC |
| Boiling Point: | 258.5 °C at 760 mmHg |
| Flash Point: | 114.1 °C |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34 |
| Safety: | 26-36/37/39 |
| PSA: | 26.30000 |
| LogP: | 2.66700 |
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- Total:17 Page 1 of 1 1
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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