Products Categories
CAS No.: | 261762-81-6 |
---|---|
Name: | 6-CHLORO-2-FLUORO-3-METHYLBENZOYL CHLORIDE |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C8H5Cl2FO |
Molecular Weight: | 207.032 |
Synonyms: | 6-Chloro-2-fluoro-3-methylbenzoyl chloride; |
EINECS: | -0 |
Density: | 1.396 g/cm3 |
Boiling Point: | 247.1 °C at 760 mmHg |
Flash Point: | 103.2 °C |
Hazard Symbols: | C |
Risk Codes: | 34-36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 17.07000 |
LogP: | 3.16650 |
What can I do for you?
Get Best Price
The Benzoyl chloride,2-chloro-6-fluoro-3-methyl-, with the CAS registry number 261762-81-6, is also known as 6-Chloro-2-fluoro-3-methylbenzoyl chloride. It belongs to the product category of Acidhalide. This chemical's molecular formula is C8H5Cl2FO and molecular weight is 207.03. What's more, both its IUPAC name and systematic name are the same which is called 6-Chloro-2-fluoro-3-methylbenzoyl chloride.
Physical properties about Benzoyl chloride,2-chloro-6-fluoro-3-methyl- are: (1)ACD/LogP: 2.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.03; (4)ACD/LogD (pH 7.4): 2.03; (5)ACD/BCF (pH 5.5): 20.59; (6)ACD/BCF (pH 7.4): 20.59; (7)ACD/KOC (pH 5.5): 303.34; (8)ACD/KOC (pH 7.4): 303.34; (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: 1.535; (14)Molar Refractivity: 46.21 cm3; (15)Molar Volume: 148.2 cm3; (16)Surface Tension: 39.5 dyne/cm; (17)Density: 1.396 g/cm3; (18)Flash Point: 103.2 °C; (19)Enthalpy of Vaporization: 48.42 kJ/mol; (20)Boiling Point: 247.1 °C at 760 mmHg; (21)Vapour Pressure: 0.0262 mmHg at 25 °C.
When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the eyes, respiratory system and skin. It may destroy living tissue on contact and may 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: O=C(Cl)c1c(F)c(ccc1Cl)C
(2) InChI: InChI=1/C8H5Cl2FO/c1-4-2-3-5(9)6(7(4)11)8(10)12/h2-3H,1H3
(3) InChIKey: NWTPJKCARLIKFP-UHFFFAOYAT