4-Chlorobenzyl alcohol

HCID 13397CAS 873-76-7

Basic information

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 properties

XLogP
2
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
9

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

Safety & regulation

GHS classification

GHS Classification · 3 items

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 · 2 items

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

Chemistry & industry

Applications · 3 items

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.

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
爱斯特(成都)生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]

Related reactions

109 records

Linked notes

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