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| CAS No.: | 17849-38-6 |
|---|---|
| Name: | 2-Chlorobenzyl alcohol |
| Article Data: | 238 |
| Molecular Structure: | |
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| Formula: | C7H7ClO |
| Molecular Weight: | 142.585 |
| Synonyms: | 2-Chlorobenzenemethanol;(2-Chlorophenyl)methanol;o-Chlorobenzyl alcohol;Benzylalcohol, o-chloro- (6CI,8CI); |
| EINECS: | 241-801-7 |
| Density: | 1.237 g/cm3 |
| Melting Point: | 69-72 °C |
| Boiling Point: | 230 °C at 760 mmHg |
| Flash Point: | 95.4 °C |
| Solubility: | Slightly soluble in water |
| Appearance: | White fine crystalline powder |
| Hazard Symbols: |
 Xi
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| Safety: | 22-24/25 |
| PSA: | 20.23000 |
| LogP: | 1.83230 |
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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%.
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%.
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