3-Isocyanatothiophene

Basic Information

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CAS Number

76536-95-3

Molecular Formula

C5H3NOS

Molecular Weight

125.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Boiling Point

36 ºC (1 mmHg)

SMILES

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C1=CSC=C1N=C=O

InChI

InChI=1S/C5H3NOS/c7-4-6-5-1-2-8-3-5/h1-3H

InChIKey

PVIZQOWWCLBJES-UHFFFAOYSA-N

LogP

1.7153999999999998

Topological Polar Surface Area

29.43 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

120

Safety Information

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Hazard Statement

Synonyms & References

English

FT-0616398
76536-95-3
AKOS000167121
3-Thienyl Isocyanate
Thien-3-yl isocyanate
F8883-2308
3-isocyanatothiophene
J-513111
MFCD02681899
SCHEMBL424170
PVIZQOWWCLBJES-UHFFFAOYSA-N
3-Isocyanatothiophene, AldrichCPR
DTXSID40380030
3-isocyanato-thiophene
A838740
A25718
3-Thienylisocyanate
PS-10316
Thiophene, 3-isocyanato-
EN300-213655
3-Thienyl isocyanate
3-isocyanatoThiophene
3-thiophen-3-yl isocyanate
thien-3-ylisocyanate
thiophen-3-isocyanate
Thiophene,3-isocyanato

MDL Number

MFCD02681899

Customs Code

2934999090

FAQ

What is 3-Isocyanatothiophene (CAS: 76536-95-3)?

3-Isocyanatothiophene is an organic compound with the CAS number 76536-95-3. It is a colorless liquid with a molecular formula of C4H3N2S and a molecular weight of 119.14. This compound is characterized by its pungent odor and is used in various chemical syntheses and applications.

What are the main uses of 3-Isocyanatothiophene (CAS: 76536-95-3)?

3-Isocyanatothiophene (CAS: 76536-95-3) is primarily used in the synthesis of polyurethanes and other polymers. It also finds applications in the production of dyes, pigments, and pharmaceuticals due to its reactivity with isocyanates.

Is 3-Isocyanatothiophene (CAS: 76536-95-3) safe?

3-Isocyanatothiophene (CAS: 76536-95-3) is generally safe when handled with proper precautions. However, it is highly reactive and can be toxic if inhaled or ingested. It is important to wear protective equipment and ensure proper ventilation.

How should 3-Isocyanatothiophene (CAS: 76536-95-3) be stored?

3-Isocyanatothiophene (CAS: 76536-95-3) should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a sealed container to prevent exposure to air and moisture. Adequate ventilation is necessary during storage to minimize the risk of hazardous reactions.