4-Chlorobenzyl alcohol
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Basic information
- CAS
873-76-7- Standard SMILES
OCc1ccc(Cl)cc1- InChIKey
PTHGDVCPCZKZKR-UHFFFAOYSA-N- Molecular formula
- C7H7ClO
- Average molar mass
- 142.58 g/mol
- Monoisotopic mass
- 142.01854252
Names & identifiers
- Preferred name
- 4-Chlorobenzyl alcohol
- IUPAC
- (4-chlorophenyl)methanol
- English name
- 4-Chlorobenzyl alcohol
- Molecular formula
- C7H7ClO
- Molecular weight
- 142.58
Names & synonyms
4-Chlorobenzyl alcohol873-76-7P-CHLOROBENZYL ALCOHOL4-ChlorobenzenemethanolBenzenemethanol, 4-chloro-Benzyl alcohol, p-chloro-4-Chlorobenzylic alcoholCCRIS 51204-chlorophenylmethanolp-chlorotoluolAI3-20628NSC 5286
Show more names
4-chlorobenzylRARECHEM AL BD 00774-Chlorobenzyl alcohp-chloro-benzylalcohoChlorophenyl MethanolLABOTEST-BB LT02085068
EINECS 212-852-2GF8BS53B6VNSC-5286DTXSID7073937RefChem:521959DTXCID8048579Benzenemethanol, 4-chloro-(9CI)(4-Chlorophenyl)methanol
Database identifiers
- CAS
873-76-7- PubChem CID
- 13397
- DTXSID
DTXSID7073937- ChEMBL
CHEMBL1224554- UNII
- GF8BS53B6V
- EC Number
- 212-852-2
- Nikkaji
- J141.587E
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 77
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 68 · 68-71 °C(lit.)
- Boiling point
- 234 °C · 234 °C(lit.)
- Density
- 1.1104 · 1.1104 (rough estimate)
- refractive index
- 1.539 · 1.5390 (estimate)
- Flash point
- 70 °C · 70 °C
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- 2.5 g/l · 2.5g/l
- pka
- 14.16 · 14.16±0.10(Predicted)
- form
- Crystalline Needles or Powder
- color
- Almost white to beige
- Water Solubility
- Soluble in water (2.5 mg/ml at 20°C), and methanol.
- BRN
- 636502 · 636502
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 94.1% (48 of 51) of all reports.
Not Classified
Aggregated GHS information provided per 51 reports by companies from 4 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Benzenemethanol, 4-chloro-
Benzenemethanol, 4-chloro-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
Safety data
- wgk
- 3
- rtecs
- DN9242000
- hs_code
- 29062900
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
DescriptionIt is usually used as the intermediate in organic synthesis and pharmaceutical industry. Specifically, this chemical can react with o-xylene in the presence of HAuCl4 or AuCl3 at 80 ℃ to generate the corresponding benzylated product.1 Moreover, the acetylation of 4-chlorobenzyl alcohol in presence of catalytic amounts of Ce(OTf)4 has been performed in acetic acid to produce the desired esters in the excellent yields.2 In addition, this chemical may function as the raw material to produce its corresponding carboxylic acids and ketones in good yields through the oxidation reaction by using hydrogen peroxide and cobalt(Ⅱ) complex.3 Besides, the formylation and acetylation of 4-chlorobenzyl alcohol may be carried out in the presence of Silphos [PCl3?n(SiO2)n] in ethyl formate and ethyl acetate.4
UsesReagent for carboxyl group protection.
Uses4-Chlorobenzyl alcohol acts as a reagent for the protection of carboxyl groups as their 4-chlorobenzyl esters, more stable to acid than the corresponding benzyl esters. It is used as solvent in paint stripper and waterborne coatings. It acts as curing agent. It is also used in pharmaceuticals, cosmetics, preservatives, and flavoring & fragrance agents.
Upstream & downstream products
Downstream products
Related reactions
109 records
Compound notes
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