1-Chloro-2-isothiocyanatoethane

Basic Information

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CAS Number

6099-88-3

Molecular Formula

C3H4ClNS

Molecular Weight

121.59 g/mol

Chemical Classification

Water Treatment Chemicals Disinfectants Chlorine Compounds

Basic Physical Properties

Melting Point

172 ºC

Boiling Point

60°C/6mmHg

Density

1.265 g/cm3 (20 ºC)

Flash Point

70.2±22.6 ºC,

Refractive Index

1.5145 (589.3 nm 20 ºC)

SMILES

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C(CCl)N=C=S

InChI

InChI=1S/C3H4ClNS/c4-1-2-5-3-6/h1-2H2

InChIKey

ZUWFBQUHBOUPFK-UHFFFAOYSA-N

LogP

1.3279999999999998

Topological Polar Surface Area

12.36 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

67.2

Safety Information

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Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

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

Hazard Class

Class 8 Class 8

Sensitiveness

Moisture Sensitive

Synonyms & References

English

AKOS005207263
FS-4321
D89498
chloroethylisothiocyanate
C3H4ClNS
1-Chloro-2-isothiocyanatoethane #
A832998
SCHEMBL1024885
Isothiocyanic Acid 2-Chloroethyl Ester
beta-chloroethyl isothiocyanate
Ethane, 1-chloro-2-isothiocyanato-
2-Chloroethyl isothiocyanate, 98%
EN300-6729334
2-CHLOROETHylisoTHIOCYANATE
1-Chloro-2-isothiocyanatoethane
1-chloranyl-2-isothiocyanato-ethane
C2245
6099-88-3
FT-0611943
DTXSID20209836
2-Chloroethyl isothiocyanate
BP-13145
beta-chloroethylisothiocyanate
MFCD00041125
beta-Chloroethyl isothiocyanate
ZUWFBQUHBOUPFK-UHFFFAOYSA-N
sGXDLHbaBRkTh@
1-Chloro-2-isothiocyanato-ethane
Ethane,1-chloro-2-isothiocyanato-
1-chl

MDL Number

MFCD00041125

Customs Code

2930909090

FAQ

What regulatory guidelines apply to 1-Chloro-2-isothiocyanatoethane (CAS: 6099-88-3)?

1-Chloro-2-isothiocyanatoethane (CAS: 6099-88-3) is classified under hazardous chemicals. It falls under the Globally Harmonized System of Classification and Labeling of Chemicals (GHS) as a category 2 skin corrosion/irritation and category 2 acute toxicity via inhalation. Regulatory bodies such as REACH in the European Union and regulations set by the FDA and EPA in the United States also require specific handling and reporting procedures. Compliance with these guidelines is essential for safe handling and disposal.

Are there alternatives to 1-Chloro-2-isothiocyanatoethane (CAS: 6099-88-3) in synthesis?

Yes, there are alternatives to 1-Chloro-2-isothiocyanatoethane (CAS: 6099-88-3) in synthesis. Common alternatives include 2-Chloro-1-isothiocyanatoethane and other isothiocyanate-bearing compounds. These alternatives often provide similar reactivity profiles but with varying physical and chemical properties. It’s essential to choose the most suitable reagent based on the specific reaction conditions and desired product.

What is the market or research trend for 1-Chloro-2-isothiocyanatoethane (CAS: 6099-88-3)?

The market for 1-Chloro-2-isothiocyanatoethane (CAS: 6099-88-3) is driven by its applications in the synthesis of thiourea derivatives and as a reagent in organic chemistry. Research trends are focusing on the use of this compound in developing new materials and pharmaceuticals. Market dynamics suggest a stable demand, with ongoing innovation likely to expand its applications in various sectors.

How should waste containing 1-Chloro-2-isothiocyanatoethane (CAS: 6099-88-3) be handled?

Waste containing 1-Chloro-2-isothiocyanatoethane (CAS: 6099-88-3) should be handled according to hazardous waste management regulations. It should be collected in appropriate containers designed for hazardous waste and stored in a secure, well-ventilated area. For disposal, it should be incinerated or treated by a professional hazardous waste disposal service. Ensure to follow all local and national regulations to prevent environmental contamination and ensure worker safety.