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CAS No.: | 79944-64-2 |
---|---|
Name: | 3-Chloro-5-fluorobenzyl alcohol |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C7H6ClFO |
Molecular Weight: | 160.575 |
Synonyms: | 3-Chloro-5-fluorobenzenemethanol;3-Chloro-5-fluorobenzyl alcohol; |
Density: | 1.344 g/cm3 |
Boiling Point: | 224.3 °C at 760 mmHg |
Flash Point: | 89.5 °C |
Appearance: | Clear yellow liquid |
Hazard Symbols: | Xn,Xi |
Risk Codes: | 36/37/38-22 |
Safety: | 37/39-26 |
PSA: | 20.23000 |
LogP: | 1.97140 |
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The 3-Chloro-5-fluorobenzyl alcohol, with the CAS registry number 79944-64-2, is also known as 3-Chloro-5-fluorobenzyl alcohol. It belongs to the product category of Benzhydrols, Benzyl & Special Alcohols. This chemical's molecular formula is C7H6ClFO and molecular weight is 160.57. What's more, its systematic name is (3-chloro-5-fluorophenyl)methanol. It should be sealed and stored in a cool and dry place.
Physical properties of 3-Chloro-5-fluorobenzyl alcohol are: (1)ACD/LogP: 1.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.24; (4)ACD/LogD (pH 7.4): 1.24; (5)ACD/BCF (pH 5.5): 5.16; (6)ACD/BCF (pH 7.4): 5.16; (7)ACD/KOC (pH 5.5): 112.63; (8)ACD/KOC (pH 7.4): 112.63; (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: 1.542; (14)Molar Refractivity: 37.59 cm3; (15)Molar Volume: 119.4 cm3; (16)Polarizability: 14.9×10-24cm3; (17)Surface Tension: 41.9 dyne/cm; (18)Density: 1.344 g/cm3; (19)Flash Point: 89.5 °C; (20)Enthalpy of Vaporization: 48.7 kJ/mol; (21)Boiling Point: 224.3 °C at 760 mmHg; (22)Vapour Pressure: 0.0524 mmHg at 25°C.
Uses of 3-Chloro-5-fluorobenzyl alcohol: it can be used to produce 3-chloro-5-fluorobenzaldehyde by heating. It will need reagent MnO2 and solvent benzene with the reaction time of 24 hours. The yield is about 73%.
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(C=C(C=C1F)Cl)CO
(2)InChI: InChI=1S/C7H6ClFO/c8-6-1-5(4-10)2-7(9)3-6/h1-3,10H,4H2
(3)InChIKey: VJTJBAMDTCIMOB-UHFFFAOYSA-N