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498254

Sigma-Aldrich

Phenyl selenocyanate

96%

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About This Item

Linear Formula:
C6H5SeCN
CAS Number:
2179-79-5
Molecular Weight:
182.08
MDL number:
MFCD00216944
UNSPSC Code:
12352100
PubChem Substance ID:
24873184
NACRES:
NA.22

Quality Level

100

Assay

96%

refractive index

n20/D 1.603 (lit.)

bp

116-117 °C/12 mmHg (lit.)

density

1.484 g/mL at 25 °C (lit.)

storage temp.

2-8°C

SMILES string

N#C[Se]c1ccccc1

InChI

1S/C7H5NSe/c8-6-9-7-4-2-1-3-5-7/h1-5H

InChI key

NODWRXQVQYOJGN-UHFFFAOYSA-N

Related Categories

General description

Phenyl selenocyanate is a selenenylation agent that can be prepared by reacting benzeneselenenyl chloride and trimethylsilyl cyanide.

Application

Phenyl selenocyanate may be used in the synthesis of:
  • benzeneselenol esters
  • 2-bromoethyl phenyl selenie dibromide
  • α,α-dioxy-β-phenylseleno carbonitriles
  • β-alkoxyalkyl phenyl selenide

Signal Word

Danger

Hazard Statements

H301 + H331,H373,H410

Hazard Classifications

Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - STOT RE 2

Storage Class Code

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

WGK

WGK 3

Flash Point(F)

228.2 °F - closed cup

Flash Point(C)

109 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

PDSCL

Poisonous substance

PRTR

Class I Designated Chemical Substances

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

ISHL Indicated Name

Substances Subject to be Indicated Names

ISHL Notified Names

Substances Subject to be Notified Names

JAN Code

498254-BULK:
498254-VAR:
498254-5G:4548173163154

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Certificates of Analysis (COA)

Lot/Batch Number
MKCL0943
MKCJ8397
MKCJ0647
MKCF8650
MKBS5090V

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Cyanoselenenylation of ketene acetals. Synthesis of carbonyl-protected a-oxo carbonitriles.
Tomoda S, et al.
Chemistry Letters (Jpn), 11(11), 1733-1734 (1982)
A convenient synthesis of phenyl selenocyanate.
Tomoda S, et al.
Chemistry Letters (Jpn), 10(8), 1069-1070 (1981)
Aryl selenocyanates and aryl thiocyanates: reagents for the preparation of activated esters.
Grieco PA, et al.
The Journal of Organic Chemistry, 43(6), 1283-1285 (1978)
Synthesis of Aryl 2-Haloethyl Selenides and their Reactions with Potassium Selenocyanate.
Lindgren B.
Acta Chemica Scandinavica. Series B, 31(1), 1-6 (1977)
Facile oxyselenation of olefins in the presence of copper (II) or copper (I) chloride as catalyst.
Toshimitsu A, et al.
The Journal of Organic Chemistry, 45(10), 1953-1958 (1980)

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