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CAS Number: 439117-40-5
tert-butyl 4-chloro-2-(hydroxymethyl)benzylcarbamate

Structure

 tert-butyl 4-chloro-2-(hydroxymethyl)benzylcarbamate
Name: tert-butyl 4-chloro-2-(hydroxymethyl)benzylcarbamate
Synonyms:
General Information
Product Number: 439117405

CAS Registry Number 439117-40-5
Name:
Carbamic acid, [[4-?chloro-?2-?(hydroxymethyl)?phenyl]?methyl]?-?, 1,?1-?dimethylethyl ester (9CI)
[4-Chloro-2-(hydroxymethyl)benzyl]carbamic acid tert-butyl ester

 

Chemical Formula: C13H18ClNO3
Exact Mass: 271.10
Molecular Weight: 271.74
m/z: 271.10 (100.0%), 273.09 (32.0%), 272.10 (14.4%), 274.10 (4.6%), 273.10 (1.6%)

 

InChI:InChI=1S/C13H18ClNO3/c1-13(2,3)18-12(17)15-7-9-4-5-11(14)6-10(9)8-16/h4-6,16H,7-8H2,1-3H3,(H,15,17)

InChI Key:SCKBBUQGEDHWRN-UHFFFAOYSA-N

Canonical SMILES:CC(C)(C)OC(=O)NCC1=C(C=C(C=C1)Cl)CO

 

Thermal Properties Value Condition Note
Melting Point 92.1 °C   (1)CAS

Specification

98%
References
  1. (1) Nelson, Todd D.; Journal of Organic Chemistry 2004, V69(11), P3620-3627 CAPLUS
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