| Identification | More | [Name]
3-Chlorobenzyl alcohol | [CAS]
873-63-2 | [Synonyms]
3-CHLOROBENZYL ALCOHOL (3-CHLOROPHENYL)METHANOL M-CHLOROBENZYL ALCOHOL RARECHEM AL BD 0056 Benzenemethanol, 3-chloro- 3-Chlorobenzylalcohol,99% 3-Chlorobenzyl alcohol 98% META-CHLOROBENZYLALCOHOL 1-Hydroxymethyl-3-chlorobenzene 3-Chlorobenzenemethanol | [EINECS(EC#)]
212-847-5 | [Molecular Formula]
C7H7ClO | [MDL Number]
MFCD00004632 | [Molecular Weight]
142.58 | [MOL File]
873-63-2.mol |
| Chemical Properties | Back Directory | [Appearance]
CLEAR COLOURLESS LIQUID | [Melting point ]
236 °C | [Boiling point ]
237 °C (lit.) | [density ]
1.211 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.555(lit.)
| [Fp ]
>230 °F
| [storage temp. ]
Sealed in dry,Room Temperature | [form ]
clear liquid | [pka]
14.09±0.10(Predicted) | [color ]
Colorless to Almost colorless | [Specific Gravity]
1.211 (20/4℃) | [BRN ]
2041501 | [InChI]
InChI=1S/C7H7ClO/c8-7-3-1-2-6(4-7)5-9/h1-4,9H,5H2 | [InChIKey]
ZSRDNPVYGSFUMD-UHFFFAOYSA-N | [SMILES]
C1(CO)=CC=CC(Cl)=C1 | [CAS DataBase Reference]
873-63-2(CAS DataBase Reference) | [NIST Chemistry Reference]
3-Chlorobenzyl alcohol(873-63-2) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Safety Statements ]
S24/25:Avoid contact with skin and eyes . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HS Code ]
29062900 | [Storage Class]
10 - Combustible liquids |
| Hazard Information | Back Directory | [Chemical Properties]
CLEAR COLOURLESS LIQUID | [Uses]
3-Chlorobenzyl alcohol serves as a model benzene derivative for investigating electronic structural impacts[3]. | [Definition]
ChEBI: (3-Chlorophenyl)methanol is a member of benzyl alcohols. | [Synthesis Reference(s)]
Chemistry Letters, 22, p. 1495, 1993 The Journal of Organic Chemistry, 59, p. 4114, 1994 DOI: 10.1021/jo00094a021 | [Synthesis]
3-Chlorobenzyl alcohol is synthesized via electrochemical reduction using cyclic voltammetric studies and constant current electrolysis, or produced by replacing the hydrogen atom of chlorobenzene with a hydroxymethyl group at the C(1) position[2][3]. The compound forms from the reaction of benzyl alcohol with atomic and molecular chlorine, or specifically with atomic chlorine[1]. | [References]
[1]Sarzyński, D. S., & Majerz, I. (2024). Chemical Transformations of Benzyl Alcohol Caused by Atomic Chlorine. Molecules, 29(13), 3124. https://doi.org/10.3390/molecules29133124 [2]Saharan, R. (2022). Electro organic synthesis as green and sustainable approach for synthesis of chloro substituted benzyl alcohols. Journal of the Indian Chemical Society, 99(3), 100365. https://doi.org/10.1016/j.jics.2022.100365 [3]Arachchilage, A. P. W., Wang, Y., & Wang, F. (2011). A quantum mechanical study of bioactive 3-chloro-2,5-dihydroxybenzyl alcohol through substitutions. Theoretical Chemistry Accounts, 130(4-6), 965–979. https://doi.org/10.1007/s00214-011-1040-7 |
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