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3-Chloro-4-fluorobenzyl alcohol

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Name

3-Chloro-4-fluorobenzyl alcohol

EINECS -0
CAS No. 161446-90-8 Density 1.344 g/cm3
PSA 20.23000 LogP 1.97140
Solubility Slightly soluble in water. Melting Point N/A
Formula C7H6ClFO Boiling Point 242.5 °C at 760 mmHg
Molecular Weight 160.575 Flash Point 100.4 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 161446-90-8 (3-Chloro-4-fluorobenzyl alcohol) Hazard Symbols IrritantXi
Synonyms

3-Chloro-4-fluorobenzylalcohol;

Article Data 6

3-Chloro-4-fluorobenzyl alcohol Specification

The Benzenemethanol,3-chloro-4-fluoro-, with the CAS registry number 161446-90-8, is also known as 3-Chloro-4-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, both its IUPAC name and systematic name are the same which is called (3-Chloro-4-fluorophenyl)methanol. It should be kept in a cool, dry and sealed place.

Physical properties about Benzenemethanol,3-chloro-4-fluoro- are: (1)ACD/LogP: 1.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.79; (4)ACD/LogD (pH 7.4): 1.79; (5)ACD/BCF (pH 5.5): 13.52; (6)ACD/BCF (pH 7.4): 13.52; (7)ACD/KOC (pH 5.5): 224.46; (8)ACD/KOC (pH 7.4): 224.46; (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)Surface Tension: 41.9 dyne/cm; (17)Density: 1.344 g/cm3; (18)Flash Point: 100.4 °C; (19)Enthalpy of Vaporization: 50.66 kJ/mol; (20)Boiling Point: 242.5 °C at 760 mmHg; (21)Vapour Pressure: 0.0183 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. 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: Fc1ccc(cc1Cl)CO
(2) InChI: InChI=1S/C7H6ClFO/c8-6-3-5(4-10)1-2-7(6)9/h1-3,10H,4H2
(3) InChIKey: KRQHBUXUXOPOON-UHFFFAOYSA-N

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