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| CAS No.: | 208186-84-9 |
|---|---|
| Name: | 2-CHLORO-4-FLUOROBENZYL ALCOHOL |
| Molecular Structure: | |
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| Formula: | C7H6ClFO |
| Molecular Weight: | 160.575 |
| Synonyms: | (2-Chloro-4-fluorophenyl)methanol;2-Chloro-4-fluorobenzyl alcohol; |
| Density: | 1.344 g/cm3 |
| Melting Point: | 45-48 °C |
| Boiling Point: | 233.1 °C at 760 mmHg |
| Flash Point: | 94.8 °C |
| Appearance: | WHITE CRYSTALLINE POWDER |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 37/39-26 |
| PSA: | 20.23000 |
| LogP: | 1.97140 |
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Specification
The Benzenemethanol,2-chloro-4-fluoro-, with the CAS registry number 208186-84-9, is also known as (2-Chloro-4-fluorophenyl)methan-1-ol. It belongs to the product categories of Benzhydrols, Benzyl & Special Alcohols; Alcohol; Alcohols; Chlorine Compounds; Fluorine Compounds. This chemical's molecular formula is C7H6ClFO and molecular weight is 160.57. What's more, its systematic name and its IUPAC name are the same which is called (2-Chloro-4-fluorophenyl)methanol. It should be preserved hermetically and put in a cool and dry place.
Physical properties about Benzenemethanol,2-chloro-4-fluoro- are: (1)ACD/LogP: 1.24; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 9.23 Å2; (7)Index of Refraction: 1.542; (8)Molar Refractivity: 37.59 cm3; (9)Molar Volume: 119.4 cm3; (10)Surface Tension: 41.9 dyne/cm; (11)Density: 1.344 g/cm3; (12)Flash Point: 94.8 °C; (13)Enthalpy of Vaporization: 49.65 kJ/mol; (14)Boiling Point: 233.1 °C at 760 mmHg; (15)Vapour Pressure: 0.0315 mmHg at 25 °C; (22)Melting point: 45-48 °C.
When you are dealing with this chemical, you should be very careful. This chemical is irritant and may cause inflammation to the skin, eyes and respiratory system or other mucous membranes. Therefore, you should wear suitable gloves and eye/face protection. And in case of contact with eyes, you should rise immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cc(F)ccc1CO
(2) InChI: InChI=1/C7H6ClFO/c8-7-3-6(9)2-1-5(7)4-10/h1-3,10H,4H2
(3) InChIKey: ZUHMDLLAHZUDRE-UHFFFAOYAM