4-ETHOXYPHENYL ISOTHIOCYANATE

CAS

3460-49-9

Catalog Number

ACM3460499

Category

Other Products

Molecular Weight

179.24

Molecular Formula

C9H9NOS

MSDS COA Spec Sheet

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Specification

Synonyms

1-Ethoxy-4-isothiocyanatobenzene, p-Ethoxyphenyl isothiocyanate, 4-Ethoxyphenyl isothiocyanate, Benzene, 1-ethoxy-4-isothiocyanato-, NSC108217, CID77006, EINECS 222-410-0, STK315328, ZINC00164741, BBV-104602, 3460-49-9, InChI=1/C9H9NOS/c1-2-11-9-5-3-8(4-6-9)10-7-12/h3-6H,2H2,1H

IUPAC Name

1-ethoxy-4-isothiocyanatobenzene

Canonical SMILES

CCOC1=CC=C(C=C1)N=C=S

InChI Key

REEKOMRZYJXXNR-UHFFFAOYSA-N

Boiling Point

288.7ºC at 760mmHg

Melting Point

60-61ºC

Flash Point

128.4ºC

Density

1.06g/cm³

EC Number

222-410-0

Exact Mass

179.04000

Hazard Statements

C,T,Xi

H-Bond Acceptor

H-Bond Donor

Packing Group

III

Safety Description

S26-S36/37/39

Upstream Synthesis Route 1

67-56-1
39680-72-3

2935-90-2
3460-49-9

Reference: [1] Archiv der Pharmazie, 1980, vol. 313, # 12, p. 995 - 1006

Downstream Synthesis Route 1

54-85-3
3460-49-9

26416-42-2

Reference: [1]Kumar; Singh; Pandeya
[Bollettino Chimico Farmaceutico, 2001, vol. 140, # 4, p. 238 - 242]
[2]Li, Jian-Ping; Luo, Qian-Fu; Wang, Yu-Lu; Wang, Hong
[Journal of the Chinese Chemical Society, 2001, vol. 48, # 1, p. 73 - 75]
[3]Buu-Hoi et al.
[Journal of the Chemical Society, 1955, p. 1581,1583][Errata, 1957]