CAS:89007-45-4 / 1-isopropyl-4-isothiocyanatobenzene--Hangzhou Chempro Technology Co., Ltd.

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CAS Number: 89007-45-4
1-isopropyl-4-isothiocyanatobenzene

Structure
Name: 1-isopropyl-4-isothiocyanatobenzene
Synonyms:

General Information

Product Number: 89007454

CAS Registry Number 89007-45-4
Name:
Benzene, 1-isothiocyanato-4-(1-methylethyl)-
1-Isopropyl-4-isothiocyanatobenzene
4-(1-Methylethyl)phenyl isothiocyanate
4-Isopropylphenyl isothiocyanate
p-Isopropylphenyl isothiocyanate

Chemical Formula: C10H11NS
Exact Mass: 177.06
Molecular Weight: 177.27
m/z: 177.06 (100.0%), 178.06 (12.0%), 179.06 (4.6%)

InChI:InChI=1S/C10H11NS/c1-8(2)9-3-5-10(6-4-9)11-7-12/h3-6,8H,1-2H3

InChI Key:SNWJJTIJIDXIHL-UHFFFAOYSA-N

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

Thermal Properties	Value	Condition	Note
Boiling Point	140-150 °C	Press: 15 Torr	(1)CAS
Boiling Point	140-150 °C	Press: 15 Torr	(2)CAS
Boiling Point	123-130 °C	Press: 5 Torr	(3)CAS

Specification

98%

References

(1) Huebner, Charles F.; US 2702821 1955 CAPLUS
(2) Huebner, Charles F.; DE 940980 1956 CAPLUS
(3) Zakrzewski, Jerzy; Phosphorus, Sulfur and Silicon and the Related Elements 2009, V184(7), P1880-1903 CAPLUS

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