3-Chloropropyl Isocyanate

Basic Information

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CAS Number

13010-19-0

Molecular Formula

C4H6ClNO

Molecular Weight

119.55 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Boiling Point

154°C

Refractive Index

n20/D 1.452(lit.)

SMILES

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C(CN=C=O)CCl

InChI

InChI=1S/C4H6ClNO/c5-2-1-3-6-4-7/h1-3H2

InChIKey

RQAVSDINDRNIKL-UHFFFAOYSA-N

LogP

0.9511000000000001

Topological Polar Surface Area

29.43 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

77.8

Safety Information

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GHS Hazard Pictograms

H302

H312

H319

H332

H335

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 6.1 Class 6.1

Sensitiveness

Moisture Sensitive

Synonyms & References

English

RQAVSDINDRNIKL-UHFFFAOYSA-N
chloropropyl isocyanate
13010-19-0
3-chloropropyl-isocyanate
Propane, 1-chloro-3-isocyanato-
chloropropylisocyanate
D89529
Isocyanic Acid 3-Chloropropyl Ester
3-Chloropropyl isocyanate
3-Chloropropylisocyanate
3-Chloropropyl isocyanate, 96%
FT-0615489
(CIS)-4-Acetamidocyclopent-2-enemethylacetate
LS-06430
SCHEMBL243594
GEO-00794
EN300-55635
AKOS005257607
chloro propyl isocyanate
C3027
J-640334
J-800337
SY019593
1-Chloro-3-isocyanatopropane
DTXSID20156336
MFCD00010384
1-chloro-3-isocyanato-propane
2-Chloropropylisocyanate
Isocyanicacid, 3-chloropropyl ester (6CI,7CI,8CI)
3-Chloropropyl isocy
3-Chloropropyl isocyanate,96%

MDL Number

MFCD00010384

Customs Code

2929109000

FAQ

What are the physical and chemical properties of 3-Chloropropyl Isocyanate (CAS: 13010-19-0)?

3-Chloropropyl Isocyanate (CAS: 13010-19-0) is a liquid at room temperature with a molecular weight of approximately 164.59 g/mol. It is slightly soluble in water but miscible with most organic solvents. It is highly reactive due to the isocyanate group, making it prone to various polymerization reactions and addition reactions.

How is 3-Chloropropyl Isocyanate (CAS: 13010-19-0) typically synthesized?

3-Chloropropyl Isocyanate is typically synthesized via the reaction of chloropropane with phosgene in the presence of a Lewis acid catalyst. The process yields a high conversion rate and is known for its mild conditions and good selectivity.

What industries use 3-Chloropropyl Isocyanate (CAS: 13010-19-0)?

3-Chloropropyl Isocyanate is widely used in the pharmaceutical industry for the synthesis of active pharmaceutical ingredients, in the polymer industry for making special polyurethane materials, and in sensors for detecting various gases.

What precautions should be taken when handling 3-Chloropropyl Isocyanate (CAS: 13010-19-0)?

When handling 3-Chloropropyl Isocyanate, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a respirator. Work should be conducted in a well-ventilated area or a fume hood. Spills should be handled carefully, and the material safety data sheet (MSDS) should be consulted for specific handling procedures.