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CAS Number: 56651-57-1
1-(isocyanatomethyl)-4-methylbenzene

Structure

1-(isocyanatomethyl)-4-methylbenzene
Name: 1-(isocyanatomethyl)-4-methylbenzene
Synonyms:
General Information
Product Number: 56651571

CAS Registry Number 56651-57-1
Name:
Benzene, 1-​(isocyanatomethyl)​-​4-​methyl-
1-(Isocyanatomethyl)-4-methylbenzene
4-Methylbenzyl isocyanate
p-Methylbenzyl isocyanate

 

Chemical Formula: C9H9NO
Exact Mass: 147.07
Molecular Weight: 147.17
m/z: 147.07 (100.0%), 148.07 (10.2%)

 

InChI:InChI=1S/C9H9NO/c1-8-2-4-9(5-3-8)6-10-7-11/h2-5H,6H2,1H3

InChI Key:KNYDWDHLGFMGCO-UHFFFAOYSA-N

Canonical SMILES:CC1=CC=C(C=C1)CN=C=O

Specification

98%

References
  1. (1) Kozhushko, B. N.; Zhurnal Organicheskoi Khimii 1984, V20(4), P721-7 CAPLUS
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