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2-Chlorobenzyl alcohol

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Name

2-Chlorobenzyl alcohol

EINECS 241-801-7
CAS No. 17849-38-6 Density 1.237 g/cm3
PSA 20.23000 LogP 1.83230
Solubility Slightly soluble in water Melting Point 69-72 °C
Formula C7H7ClO Boiling Point 230 °C at 760 mmHg
Molecular Weight 142.585 Flash Point 95.4 °C
Transport Information N/A Appearance White fine crystalline powder
Safety 22-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 17849-38-6 (2-Chlorobenzyl alcohol) Hazard Symbols IrritantXi
Synonyms

2-Chlorobenzenemethanol;(2-Chlorophenyl)methanol;o-Chlorobenzyl alcohol;Benzylalcohol, o-chloro- (6CI,8CI);

Article Data 238

2-Chlorobenzyl alcohol Specification

The 2-Chlorobenzyl alcohol with CAS registry number of 17849-38-6 is also known as Benzenemethanol,2-chloro-. The IUPAC name is (2-Chlorophenyl)methanol. It belongs to product categories of Aromatics; Benzhydrols, Benzyl & Special Alcohols; Alcohol; Alcohols; Chlorine Compounds; Organic Building Blocks; Oxygen Compounds; Phenols. Its EINECS registry number is 241-801-7. In addition, the formula is C7H7ClO and the molecular weight is 142.58. This chemical is a white fine crystalline powder that may cause inflammation to the skin or other mucous membranes. During using it, do not breathe dust and avoid contact with skin and eyes. What's more, it can be used as medicine, organic synthesis intermediate and should be sealed in ventilated, dry place without light.

Physical properties about 2-Chlorobenzyl alcohol are: (1)ACD/LogP: 1.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.63; (4)ACD/LogD (pH 7.4): 1.63; (5)ACD/BCF (pH 5.5): 10.2; (6)ACD/BCF (pH 7.4): 10.2; (7)ACD/KOC (pH 5.5): 183.46; (8)ACD/KOC (pH 7.4): 183.46; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.566; (13)Molar Refractivity: 37.59 cm3; (14)Molar Volume: 115.2 cm3; (15)Surface Tension: 43.9 dyne/cm; (16)Density: 1.237 g/cm3; (17)Flash Point: 95.4 °C; (18)Enthalpy of Vaporization: 49.32 kJ/mol; (19)Boiling Point: 230 °C at 760 mmHg; (20)Vapour Pressure: 0.0378 mmHg at 25 °C.

Preparation of 2-Chlorobenzyl alcohol: it is prepared by reaction of 2-chloro-benzaldehyde. The reaction needs reagent benzyltriphenylphosphonium tetraborate and solvent methanol at the temperature of 20 °C for 1 minute. The yield is about 91%.

2-Chlorobenzyl alcohol is prepared by reaction of 2-chloro-benzaldehyde.

Uses of 2-Chlorobenzyl alcohol: it is used to produce 2-chlorobenzyl chlorodifluoroacetate by reaction with chloro-difluoro-acetyl fluoride. The reaction occurs with reagent pyridine at the temperature of 0 - 10 °C for 10 minutes. The yield is about 94%.

2-Chlorobenzyl alcohol is used to produce 2-chlorobenzyl chlorodifluoroacetate by reaction with chloro-difluoro-acetyl fluoride.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1=CC=C(C(=C1)CO)Cl
2. InChI: InChI=1S/C7H7ClO/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5H2
3. InChIKey: MBYQPPXEXWRMQC-UHFFFAOYSA-N

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