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| CAS No.: | 112857-70-2 |
|---|---|
| Name: | 2,4-DIFLUORO-3-METHYLBENZOYL CHLORIDE |
| Molecular Structure: | |
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|
|
| Formula: | C8H5ClF2O |
| Molecular Weight: | 190.577 |
| Synonyms: | 2,4-Difluoro-3-methylbenzoylchloride; |
| EINECS: | 604-604-1 |
| Density: | 1.356 g/cm3 |
| Melting Point: | 35-38℃ |
| Boiling Point: | 202.2 °C at 760 mmHg |
| Flash Point: | 76.1 °C |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34 |
| Safety: | 26-36/37/39 |
| PSA: | 17.07000 |
| LogP: | 2.65220 |
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Specification
The Benzoyl chloride,2,4-difluoro-3-methyl-, with the CAS registry number 112857-70-2, is also known as 2,4-Difluoro-3-methylbenzoylchloride. It belongs to the product categories of Acidhalide; Aromatic Halides (Substituted). This chemical's molecular formula is C8H5ClF2O and molecular weight is 190.57. What's more, its systematic name is called 2,4-Difluoro-3-methylbenzoyl chloride.
Physical properties about Benzoyl chloride,2,4-difluoro-3-methyl- 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): 51.73; (6)ACD/BCF (pH 7.4): 51.73; (7)ACD/KOC (pH 5.5): 586.55; (8)ACD/KOC (pH 7.4): 586.55; (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)Surface Tension: 35.4 dyne/cm; (17)Density: 1.356 g/cm3; (18)Flash Point: 76.1 °C; (19)Enthalpy of Vaporization: 43.84 kJ/mol; (20)Boiling Point: 202.2 °C at 760 mmHg; (21)Vapour Pressure: 0.296 mmHg at 25°C.
When you are dealing with this chemical, you should be very careful. This chemical may destroy living tissue on contact and cause burns. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc1ccc(C(Cl)=O)c(F)c1C
(2) InChI: InChI=1/C8H5ClF2O/c1-4-6(10)3-2-5(7(4)11)8(9)12/h2-3H,1H3
(3) InChIKey: BMMDDDOEASRDKX-UHFFFAOYAQ