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CAS No.: | 261762-83-8 |
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Name: | 2-CHLORO-6-FLUORO-3-METHYLBENZYL ALCOHOL |
Molecular Structure: | |
Formula: | C8H8ClFO |
Molecular Weight: | 174.6 |
Synonyms: | (2-Chloro-6-fluoro-3-methylphenyl)methanol;2-Chloro-6-fluoro-3-methylbenzyl alcohol; |
Density: | 1.286 g/cm3 |
Melting Point: | 56-58 °C |
Boiling Point: | 245.7 °C at 760 mmHg |
Flash Point: | 102.4 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 20.23000 |
LogP: | 2.27980 |
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The Benzenemethanol, 2-chloro-6-fluoro-3-methyl-, with the CAS registry number 261762-83-8, is also known as 2-Chloro-6-fluoro-3-methylbenzyl alcohol. This chemical's molecular formula is C8H8ClFO and molecular weight is 174.6. What's more, its IUPAC name is (2-Chloro-6-fluoro-3-methylphenyl)methanol. In addition, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, it should be kept away from oxidant. Besides, you should ensure the work place is well-ventilated.
Physical properties about Benzenemethanol, 2-chloro-6-fluoro-3-methyl- are: (1)ACD/LogP: 1.70 ; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.7; (4)ACD/LogD (pH 7.4): 1.7; (5)ACD/BCF (pH 5.5): 11.54; (6)ACD/BCF (pH 7.4): 11.54; (7)ACD/KOC (pH 5.5): 200.41; (8)ACD/KOC (pH 7.4): 200.41; (9)#H bond acceptors: 1 ; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2 ; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.537; (14)Molar Refractivity: 42.41 cm3; (15)Molar Volume: 135.6 cm3; (16)Polarizability: 16.81×10-24 cm3; (17)Surface Tension: 40.1 dyne/cm; (18)Density: 1.286 g/cm3; (19)Flash Point: 102.4 °C ; (20)Enthalpy of Vaporization: 51.01 kJ/mol; (21)Boiling Point: 245.7 °C at 760 mmHg; (22)Vapour Pressure: 0.0151 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. 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: Fc1c(c(Cl)c(cc1)C)CO
(2) InChI: InChI=1/C8H8ClFO/c1-5-2-3-7(10)6(4-11)8(5)9/h2-3,11H,4H2,1H3
(3) InChIKey: PQHOAHOMVOQUAU-UHFFFAOYAJ