3-NITROPHENACYL THIOCYANATE

Modify Date: 2025-08-28 07:13:16

3-NITROPHENACYL THIOCYANATE Structure
3-NITROPHENACYL THIOCYANATE structure
Common Name 3-NITROPHENACYL THIOCYANATE
CAS Number 6097-22-9 Molecular Weight 222.22100
Density 1.418 g/cm3 Boiling Point 377.5ºC at 760 mmHg
Molecular Formula C9H6N2O3S Melting Point 124-126ºC
MSDS N/A Flash Point 182.1ºC

 Names

Name 2-(3-Nitrophenyl)-2-oxoethyl thiocyanate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.418 g/cm3
Boiling Point 377.5ºC at 760 mmHg
Melting Point 124-126ºC
Molecular Formula C9H6N2O3S
Molecular Weight 222.22100
Flash Point 182.1ºC
Exact Mass 222.01000
PSA 111.98000
LogP 2.51498
Index of Refraction 1.624
InChIKey ABKJWLHODKUEJA-UHFFFAOYSA-N
SMILES N#CSCC(=O)c1cccc([N+](=O)[O-])c1

 Safety Information

Hazard Codes Xi
HS Code 2930909090

 Synthetic Route

~%

3-NITROPHENACYL THIOCYANATE Structure

3-NITROPHENACYL...

CAS#:6097-22-9

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Literature: Journal of the American Chemical Society, , vol. 61, p. 1830 Roczniki Chemii, , vol. 10, p. 555,561 Chem. Zentralbl., , vol. 101, # II p. 3274

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3-NITROPHENACYL THIOCYANATE Structure

3-NITROPHENACYL...

CAS#:6097-22-9

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Literature: Bulletin of the Korean Chemical Society, , vol. 33, # 1 p. 111 - 114

~%

3-NITROPHENACYL THIOCYANATE Structure

3-NITROPHENACYL...

CAS#:6097-22-9

Learn More
Literature: Journal of Medicinal Chemistry, , vol. 56, # 10 p. 3833 - 3851

~%

3-NITROPHENACYL THIOCYANATE Structure

3-NITROPHENACYL...

CAS#:6097-22-9

Learn More
Literature: Bulletin of the Korean Chemical Society, , vol. 33, # 1 p. 111 - 114

 Customs

HS Code 2930909090
Summary 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

 Synonyms

[2-(3-nitrophenyl)-2-oxoethyl] thiocyanate
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