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CAS No.: | 145572-10-7 |
---|---|
Name: | 4-CHLORO-2,3,5,6-TETRAFLUOROBENZOYL CHLORIDE |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C7Cl2F4O |
Molecular Weight: | 246.976 |
Synonyms: | 4-Chloro-2,3,5,6-tetrafluorobenzoylchloride; |
EINECS: | -0 |
Density: | 1.707 g/cm3 |
Boiling Point: | 196.1 °C at 760 mmHg |
Flash Point: | 72.4 ºC |
Hazard Symbols: | C |
Risk Codes: | 34 |
Safety: | 26-36/37/39 |
PSA: | 17.07000 |
LogP: | 3.27540 |
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The CAS registry number of Benzoyl chloride,4-chloro-2,3,5,6-tetrafluoro- is 145572-10-7. This chemical's molecular formula is C7Cl2F4O and molecular weight is 246.9739. What's more, both its IUPAC name and systematic name are the same which is called 4-Chloro-2,3,5,6-tetrafluorobenzoyl chloride.
Physical properties about Benzoyl chloride,4-chloro-2,3,5,6-tetrafluoro- are: (1)ACD/LogP: 2.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.11; (4)ACD/LogD (pH 7.4): 2.11; (5)ACD/BCF (pH 5.5): 23.44; (6)ACD/BCF (pH 7.4): 23.44; (7)ACD/KOC (pH 5.5): 332.81; (8)ACD/KOC (pH 7.4): 332.81; (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: 1.483; (14)Molar Refractivity: 41.36 cm3; (15)Molar Volume: 144.6 cm3; (16)Polarizability: 16.39×10-24cm3; (17)Surface Tension: 36.4 dyne/cm; (18)Density: 1.707 g/cm3; (19)Flash Point: 72.4 °C; (20)Enthalpy of Vaporization: 43.23 kJ/mol; (21)Boiling Point: 196.1 °C at 760 mmHg; (22)Vapour Pressure: 0.405 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, 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: Fc1c(c(F)c(F)c(Cl)c1F)C(Cl)=O
(2) InChI: InChI=1/C7Cl2F4O/c8-2-5(12)3(10)1(7(9)14)4(11)6(2)13
(3) InChIKey: BCYRJFXGRNBBAF-UHFFFAOYAV