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CAS No.: | 292621-46-6 |
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Name: | 3-BROMO-2,4,5,6-TETRAFLUOROBENZOYL CHLORIDE |
Molecular Structure: | |
Formula: | C7BrClF4O |
Molecular Weight: | 291.42 |
Synonyms: | 3-BROMO-2,4,5,6-TETRAFLUOROBENZOYL CHLORIDE |
EINECS: | -0 |
Density: | 1.957 g/cm3 |
Melting Point: | 142-144 ºC |
Boiling Point: | 206.8 °C at 760 mmHg |
Flash Point: | 78.9 °C |
Hazard Symbols: | C |
Risk Codes: | 34 |
Safety: | 26-36/37/39-45 |
PSA: | 17.07000 |
LogP: | 3.38450 |
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The CAS registry number of Benzoyl chloride,3-bromo-2,4,5,6-tetrafluoro- is 292621-46-6. This chemical's molecular formula is C7BrClF4O and molecular weight is 291.4249. What's more, both its IUPAC name and systematic name are the same which is called 3-Bromo-2,4,5,6-tetrafluorobenzoyl chloride.
Physical properties about Benzoyl chloride,3-bromo-2,4,5,6-tetrafluoro- are: (1)ACD/LogP: 2.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.67; (4)ACD/LogD (pH 7.4): 2.67; (5)ACD/BCF (pH 5.5): 62.56; (6)ACD/BCF (pH 7.4): 62.56; (7)ACD/KOC (pH 5.5): 672.04; (8)ACD/KOC (pH 7.4): 672.04; (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: 1.505; (14)Molar Refractivity: 44.16 cm3; (15)Molar Volume: 148.8 cm3; (16)Polarizability: 17.5×10-24cm3; (17)Surface Tension: 38.2 dyne/cm; (18)Density: 1.957 g/cm3; (19)Flash Point: 78.9 °C; (20)Enthalpy of Vaporization: 44.3 kJ/mol; (21)Boiling Point: 206.8 °C at 760 mmHg; (22)Vapour Pressure: 0.233 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 seek medical advice immediately (show the label where possible). In addition, it must be stored in airtight containers and placed in a dry, cool place.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc1c(F)c(c(F)c(Br)c1F)C(Cl)=O
(2) InChI: InChI=1/C7BrClF4O/c8-2-3(10)1(7(9)14)4(11)6(13)5(2)12
(3) InChIKey: FHHUFCXIDZNVQW-UHFFFAOYAQ