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Structure

Benzene,1-ethyl-4-isothiocyanato-

CAS
18856-63-8
Catalog Number
ACM18856638
Category
Other Products
Molecular Weight
163.2395
Molecular Formula
C9H9 N S

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Specification

Synonyms
4-Ethylphenyl isothiocyanate, 1-Ethyl-4-isothiocyanatobenzene, 475971_ALDRICH, ZINC02168495, CID140438, STK397872, T0515-0669, 18856-63-8
IUPAC Name
1-ethyl-4-isothiocyanatobenzene
Canonical SMILES
CCC1=CC=C(C=C1)N=C=S
InChI Key
XXLWCGRHJFEMQH-UHFFFAOYSA-N
Boiling Point
257.8ºC at 760 mmHg
Flash Point
110.2ºC
Density
1.075 g/mL at 25 °C(lit.)
Appearance
clear, pale yellow liquid
Exact Mass
163.04600
Hazard Statements
C: Corrosive;
H-Bond Acceptor
1
H-Bond Donor
0
Packing Group
III
Safety Description
S26-S36/37/39
WGK Germany
3

Downstream Synthesis Route 1

  • 279236-77-0
  • 18856-63-8
  • 25952-53-8
  • 1073243-01-2

Reference: [1]Patent: US2008/267912,2008,A1 .Location in patent: Page/Page column 30; 32

* For details of the synthesis route, please refer to the original source to ensure accuracy.

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