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CAS Number: 50785-46-1
1-isopropoxy-4-isothiocyanatobenzene

Structure

1-isopropoxy-4-isothiocyanatobenzene
Name: 1-isopropoxy-4-isothiocyanatobenzene
Synonyms:
General Information
Product Number: 50785461

CAS Registry Number 50785-46-1
Name:
Benzene, 1-​isothiocyanato-​4-​(1-​methylethoxy)​-
Isothiocyanic acid, p-isopropoxyphenyl ester (6CI)
4-(1-Methylethoxy)phenyl isothiocyanate
4-Isopropoxyphenyl isothiocyanate
p-Isopropoxyphenyl isothiocyanate

 

Chemical Formula: C10H11NOS
Exact Mass: 193.06
Molecular Weight: 193.27
m/z: 193.06 (100.0%), 194.06 (11.8%), 195.05 (4.5%)

 

InChI:InChI=1S/C10H11NOS/c1-8(2)12-10-5-3-9(4-6-10)11-7-13/h3-6,8H,1-2H3

InChI Key:VCLAOKLKSZWCMH-UHFFFAOYSA-N

Canonical SMILES:CC(C)OC1=CC=C(C=C1)N=C=S

 

Thermal Properties Value Condition Note
Boiling Point 170-172 °C Press: 26 Torr (1)CAS

Specification

98%

References
  1. (1) Doub, L.; Journal of the American Chemical Society 1958, V80, P2205-17 CAPLUS
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