Benzene,1-ethyl-4-isocyanato-

CAS

23138-50-3

Catalog Number

ACM23138503

Category

Other Products

Molecular Weight

147.17

Molecular Formula

C9H9 N O

MSDS COA Spec Sheet

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Specification

Synonyms

p-Ethylphenyl isocyanate, 4-Ethylphenyl isocyanate, 1-ethyl-4-isocyanatobenzene, 478555_ALDRICH, ZINC02560448, ALBB-003028, CID90007, EINECS 245-446-9, STK502548, BBV-070515, 23138-50-3

IUPAC Name

1-ethyl-4-isocyanatobenzene

Canonical SMILES

CCC1=CC=C(C=C1)N=C=O

InChI Key

FWPYUSLQCQDLJR-UHFFFAOYSA-N

Boiling Point

68ºC (1 torr)

Flash Point

71.7ºC

EC Number

245-446-9

Exact Mass

147.06800

Hazard Statements

Xn: Harmful;Xi: Irritant;

H-Bond Acceptor

H-Bond Donor

Packing Group

III

Safety Description

S23-S26-S36/37/39-S45

Upstream Synthesis Route 1

32315-10-9
589-16-2

23138-50-3

Reference: [1]Hasan, Riaz; Nishimura, Keiichiro; Ueno, Tamio
[Pesticide Science, 1994, vol. 42, # 4, p. 291 - 298]
[2]Rose, Tristan E.; Morisseau, Christophe; Liu, Jun-Yan; Inceoglu, Bora; Jones, Paul D.; Sanborn, James R.; Hammock, Bruce D.
[Journal of Medicinal Chemistry, 2010, vol. 53, # 19, p. 7067 - 7075]
[3]Ghorbani-Choghamarani, Arash; Nikoorazm, Mohsen; Azadi, Gouhar
[Chinese Chemical Letters, 2014, vol. 25, # 3, p. 451 - 454]
[4]Zhou, Shuguang; Yao, Ting; Yi, Jicheng; Li, Dashuai; Xiong, Jing
[Journal of Chemical Research, 2013, vol. 37, # 5, p. 315 - 319]