2-Isothiocyanatopropane

Basic Information

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CAS Number

2253-73-8

Molecular Formula

C4H7NS

Molecular Weight

101.17 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Boiling Point

138°C

Water Solubility

Miscible with methanol. Hydrolyzes in water.

Refractive Index

n20/D 1.493(lit.)

SMILES

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CC(C)N=C=S

InChI

InChI=1S/C4H7NS/c1-4(2)5-3-6/h4H,1-2H3

InChIKey

VHBFEIBMZHEWSX-UHFFFAOYSA-N

LogP

1.4976

Topological Polar Surface Area

12.36 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

71.6

Safety Information

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Hazard Statement

H225 Highly Flammable liquid and vapor
Flammable liquids

H301 Toxic if swallowed
Acute toxicity, oral

H313 May be harmful in contact with skin
Acute toxicity, dermal

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class 3 Class 3

Sensitiveness

Moisture Sensitive

Synonyms & References

English

FT-0627465
AS-17372
Isopropyl isothiocyanate, 97%
DTXSID60177045
2-Isothiocyanatopropane #
BP-12933
2-Isothiocyanatopropane; 2-Propyl isothiocyanate; Isopropyl isothiocyanate; Putranjivin; Putranjivine
SCHEMBL213474
InChI=1/C4H7NS/c1-4(2)5-3-6/h4H,1-2H
Isopropyl isothiocyanate
EINECS 218-851-3
2-PROPYL ISOTHIOCYANATE
J-802232
I0520
PUTRANJIVIN
BDBM50096277
Q27258900
isopropylisothiocyanate
MFCD00037830
Propane, 2-isothiocyanato-
A816253
F0001-0793
FEMA NO. 4425
iso-propylisothiocyanate
UNII-46561PKP9T
Isothiocyanic Acid Isopropyl Ester
Putranjivine
46561PKP9T
ISOPROPYL ISOTHIOCYANATE [FHFI]
J-670002
Z56964589

MDL Number

MFCD00037830

Customs Code

2930909090

FAQ

What is 2-Isothiocyanatopropane (CAS: 2253-73-8)?

2-Isothiocyanatopropane (CAS: 2253-73-8) is an organic compound with the chemical formula C3H5NO2. It is a colorless to slightly yellow liquid with a pungent odor. This compound is known for its reactivity and is used in various applications such as pharmaceuticals and as a precursor in the synthesis of other organic compounds.

What are the main uses of 2-Isothiocyanatopropane (CAS: 2253-73-8)?

2-Isothiocyanatopropane (CAS: 2253-73-8) is primarily used in the pharmaceutical industry as an intermediate for the synthesis of drug molecules. It is also utilized in the industrial sector for the preparation of dyes and resins. Additionally, it finds use in research for the development of new materials and chemical compounds.

Is 2-Isothiocyanatopropane (CAS: 2253-73-8) safe?

2-Isothiocyanatopropane (CAS: 2253-73-8) can be handled safely with appropriate precautions. It is important to use personal protective equipment such as gloves and goggles. It should be kept away from heat sources and oxidizers to prevent decomposition and fire risks. Storage in a cool, dry place is recommended.

How should 2-Isothiocyanatopropane (CAS: 2253-73-8) be stored?

2-Isothiocyanatopropane (CAS: 2253-73-8) should be stored in a tightly sealed container in a cool, dry place to avoid exposure to heat and light. It is important to maintain a storage temperature below 30°C (86°F) and to keep it away from incompatible materials such as strong oxidizers. Proper ventilation is recommended to avoid the accumulation of flammable gases.