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CAS Number: 39720-27-9
4-(chloromethyl)phenyl acetate

Structure

4-(chloromethyl)phenyl acetate
Name: 4-(chloromethyl)phenyl acetate
Synonyms:
General Information
Product Number: 39720279

CAS Registry Number: 39720-27-9

Name:

Phenol, 4-​(chloromethyl)​-​, 1-​acetate
Phenol, 4-​(chloromethyl)​-​, acetate (9CI); p-​Cresol, α-​chloro-​, acetate (7CI); 4-​(Chloromethyl)​phenyl acetate; 4-​Acetoxybenzyl chloride; p-​(Chloromethyl)​phenyl acetate; p-​Acetoxybenzyl chloride; α-​Chloro-​p-​cresol acetate 

 

Chemical Formula: C9H9ClO2
Exact Mass: 184.03
Molecular Weight: 184.62
m/z: 184.03 (100.0%), 186.03 (32.4%), 185.03 (9.8%), 187.03 (3.2%)

 

InChI: InChI=1S/C9H9ClO2/c1-7(11)12-9-4-2-8(6-10)3-5-9/h2-5H,6H2,1H3
InChIKey: OKRCXSCDWKJWSW-UHFFFAOYSA-N
Canonical SMILES : CC(=O)OC1=CC=C(C=C1)CCl

 

Thermal Properties Value Condition Note
Boiling Point 82 °C Press: 0.01 Torr (1)CAS
Melting Point 31.5 °C   (2)CAS

 

Specification

98%

References
  1. (1) Grice, R.; Journal of the Chemical Society 1963, P1947-54 CAPLUS
  2. (2) Hulsman, Niels; Journal of Medicinal Chemistry 2007, V50(10), P2424-2431 CAPLUS
  3. (3) Johansson, Anh; Inorganic Chemistry 2003, V42(23), P7502-7511 CAPLUS
  4. (4) Sun, Shiguo; Chemical Communications (Cambridge, United Kingdom) 2010, V46(3), P463-465 CAPLUS
  5. (5) Dimmel, Donald R.; Journal of Organic Chemistry 1982, V47(1), P22-9 CAPLUS
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