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CAS No.: | 103877-56-1 |
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Name: | 2,5-DIFLUORO-4-METHYL-BENZOYLCHLORIDE |
Molecular Structure: | |
Formula: | C8H5ClF2O |
Molecular Weight: | 190.5745 |
Synonyms: | 2,5-Difluoro-4-methyl- (9CI);2,5-Difluoro-4-methylbenzoyl chloride; |
Density: | 1.356 g/cm3 |
Boiling Point: | 218.7 °C at 760 mmHg |
Flash Point: | 86 °C |
Risk Codes: | 34 |
Safety: | 26-36/37/39 |
PSA: | 17.07000 |
LogP: | 2.65220 |
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The 2,5-Difluoro-4-Methylbenzoyl chloride, with the CAS registry number 103877-56-1, is also known as 2,5-Difluoro-4-methyl- (9CI). It belongs to the product category of Acidhalide. This chemical's molecular formula is C8H5ClF2O and molecular weight is 190.5745. What's more, both its IUPAC name and systematic name are the same which is called 2,5-Difluoro-4-methylbenzoyl chloride.
Physical properties about 2,5-Difluoro-4-Methylbenzoyl chloride are: (1)ACD/LogP: 2.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.62; (4)ACD/LogD (pH 7.4): 2.62; (5)ACD/BCF (pH 5.5): 57.67; (6)ACD/BCF (pH 7.4): 57.67; (7)ACD/KOC (pH 5.5): 634.02; (8)ACD/KOC (pH 7.4): 634.02; (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: 1.499; (14)Molar Refractivity: 41.3 cm3; (15)Molar Volume: 140.5 cm3; (16)Polarizability: 16.37×10-24cm3; (17)Surface Tension: 35.4 dyne/cm; (18)Density: 1.356 g/cm3; (19)Flash Point: 86 °C; (20)Enthalpy of Vaporization: 45.51 kJ/mol; (21)Boiling Point: 218.7 °C at 760 mmHg; (22)Vapour Pressure: 0.124 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it 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: Fc1cc(C)c(F)cc1C(Cl)=O
(2) InChI: InChI=1/C8H5ClF2O/c1-4-2-7(11)5(8(9)12)3-6(4)10/h2-3H,1H3
(3) InChIKey: CFWIAKKMBXJMOJ-UHFFFAOYAW