3-Isothiocyanatopyridine

Basic Information

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CAS Number

17452-27-6

Molecular Formula

C6H4N2S

Molecular Weight

136.18 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

No data available

Boiling Point

231-233 °C

Flash Point

229 °F

Refractive Index

n20/D 1.665(lit.)

SMILES

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

InChI

InChI=1S/C6H4N2S/c9-5-8-6-2-1-3-7-4-6/h1-4H

InChIKey

VMSZFBSYWXMXRF-UHFFFAOYSA-N

LogP

1.8158999999999996

Topological Polar Surface Area

25.25 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

129

Safety Information

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Hazard Statement

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

Isothiocyanic Acid 3-Pyridyl Ester
AMY202100040
FT-0616374
pyridin-3-yl isothiocyanate
W-206066
AKOS000122287
A811660
pyridin-3-yl-isothiocyanate
P2131
EN300-01244
3-isothiocyanatopyridine
DTXSID30371937
Pyridine-3-isothiocyanate
Pyridine, 3-isothiocyanato-
Pyridine,3-isothiocyanato-
3-Pyridyl isothiocyanate
J-670009
3-pyridyl-isothiocyanate
SCHEMBL213179
VMSZFBSYWXMXRF-UHFFFAOYSA-N
6D-048
MFCD00052351
3-pyridyl isotiocyanate
17452-27-6
Z57358363
SY050553
3-Pyridyl isothiocyanate, 98%
3-pyridylisothiocyanate
3-isothiocyanato-pyridine
3-Isothiocyanatopyridine
BUTTPARK 33\08-09

MDL Number

MFCD00052351

Customs Code

2933399090

FAQ

What regulatory guidelines apply to 3-Isothiocyanatopyridine (CAS: 17452-27-6)?

3-Isothiocyanatopyridine (CAS: 17452-27-6) is classified as a hazardous substance under the Globally Harmonized System of Classification and Labeling of Chemicals (GHS). It falls under the category of corrosive substances. In the European Union, it is regulated under the REACH (Registration, Evaluation, Authorization and Restriction of Chemicals) regulations. The Food and Drug Administration (FDA) and the Environmental Protection Agency (EPA) may also have specific requirements depending on its intended use.

Are there alternatives to 3-Isothiocyanatopyridine (CAS: 17452-27-6) in synthesis?

Yes, there are alternatives to 3-Isothiocyanatopyridine (CAS: 17452-27-6) in synthesis. Some common alternatives include other isothiocyanates, such as benzothiocyanate or phenylisothiocyanate, which can serve similar functional groups in reactions. Additionally, thiourea and thiocyanic acid can be used as precursors to form isothiocyanates.

What is the market or research trend for 3-Isothiocyanatopyridine (CAS: 17452-27-6)?

The market for 3-Isothiocyanatopyridine (CAS: 17452-27-6) is primarily driven by its use in pharmaceuticals and organic synthesis as a key intermediate. Research trends indicate increased focus on developing new applications in medicinal chemistry and materials science. The trend also reflects a growing interest in sustainable chemistry and green chemistry principles.

How should waste containing 3-Isothiocyanatopyridine (CAS: 17452-27-6) be handled?

Waste containing 3-Isothiocyanatopyridine (CAS: 17452-27-6) should be handled according to hazardous waste disposal regulations. Collect waste in appropriate containers and label them clearly. For disposal, contact a professional hazardous waste management company. Incineration is a common method, but ensure it is conducted in an environmentally controlled incinerator. Always follow local environmental protection guidelines and safety precautions to prevent contamination and ensure worker safety.