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CAS No.: | 261762-82-7 |
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Name: | 2-CHLORO-6-FLUORO-3-METHYLBENZOYL CHLORIDE |
Molecular Structure: | |
Formula: | C8H5Cl2FO |
Molecular Weight: | 207.03 |
Synonyms: | 2-CHLORO-6-FLUORO-3-METHYLBENZOYL CHLORIDE;2-Chloro-6-fluoro-m-toluoyl chloride;Benzoyl chloride, 6-chloro-2-fluoro-3-methyl- (9CI);6-Chloro-2-fluoro-m-toluoyl chloride, 4-Chloro-3-(chlorocarbonyl)-2-fluorotoluene |
EINECS: | -0 |
Density: | 1.396 g/cm3 |
Boiling Point: | 245.6 °C at 760 mmHg |
Flash Point: | 102.3 °C |
Hazard Symbols: | C |
Risk Codes: | 34-36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 17.07000 |
LogP: | 3.16650 |
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The Benzoyl chloride,6-chloro-2-fluoro-3-methyl-, with the CAS registry number 261762-82-7, is also known as 2-Chloro-6-fluoro-m-toluoyl chloride. It belongs to the product category of Acidhalide. This chemical's molecular formula is C8H5Cl2FO and molecular weight is 207.0291. What's more, both its IUPAC name and systematic name are the same which is called 2-Chloro-6-fluoro-3-methylbenzoyl chloride.
Physical properties about Benzoyl chloride,6-chloro-2-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)Polarizability: 18.31×10-24cm3; (17)Surface Tension: 39.5 dyne/cm; (18)Density: 1.396 g/cm3; (19)Flash Point: 102.3 °C; (20)Enthalpy of Vaporization: 48.27 kJ/mol; (21)Boiling Point: 245.6 °C at 760 mmHg; (22)Vapour Pressure: 0.0285 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 and irritate to eyes, respiratory system and skin. 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(Cl)=O)c(Cl)c(cc1)C
(2) InChI: InChI=1/C8H5Cl2FO/c1-4-2-3-5(11)6(7(4)9)8(10)12/h2-3H,1H3
(3) InChIKey: XJFKTIHKOKWAEF-UHFFFAOYAF