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CAS Number: 25343-69-5
1,3-diethyl-2-isothiocyanatobenzene

Structure

 1,3-diethyl-2-isothiocyanatobenzene
Name: 1,3-diethyl-2-isothiocyanatobenzene
Synonyms:
General Information
Product Number: 25343695

CAS Registry Number 25343-69-5
Name:
Benzene, 1,?3-?diethyl-?2-?isothiocyanato-
Isothiocyanic acid, 2,6-diethylphenyl ester (8CI)
1,3-Diethyl-2-isothiocyanatobenzene
2,6-Diethylphenyl isothiocyanate
2,6-Diethylphenyl isothiocyante

 

Chemical Formula: C11H13NS
Exact Mass: 191.08
Molecular Weight: 191.29
m/z: 191.08 (100.0%), 192.08 (12.8%), 193.07 (4.5%)

 

InChI:InChI=1S/C11H13NS/c1-3-9-6-5-7-10(4-2)11(9)12-8-13/h5-7H,3-4H2,1-2H3

InChI Key:QDPPZHPTDMQNBE-UHFFFAOYSA-N

Canonical SMILES:CCC1=C(C(=CC=C1)CC)N=C=S

 

Thermal Properties Value Condition Note
Boiling Point 109-112 °C Press: 4.7 Torr (1)IC

Specification

98%
References
  1. (1) Pak, Chawng Siek; Synthesis 1982, (11), P969-70 CAPLUS
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