2,4-Dichloro-1-isothiocyanatobenzene

Basic Information

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CAS Number

6590-96-1

Molecular Formula

C7H3Cl2NS

Molecular Weight

204.08 g/mol

Chemical Classification

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

40.0 to 44.0 deg-C

Boiling Point

260 °C

Density

1.41 g/mL at 25 °C

Flash Point

>230 °F

Refractive Index

1.6750 (estimate)

SMILES

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C1=CC(=C(C=C1Cl)Cl)N=C=S

InChI

InChI=1S/C7H3Cl2NS/c8-5-1-2-7(10-4-11)6(9)3-5/h1-3H

InChIKey

WVBNZZHGECFCSH-UHFFFAOYSA-N

LogP

3.7277000000000005

Topological Polar Surface Area

12.36 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

179

Safety Information

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Hazard Statement

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

H317 May cause an allergic skin reaction
Sensitization, Skin

H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled
Sensitization, respiratory

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

AKOS002680234
SY048954
Benzene, 2,4-dichloro-1-isothiocyanato-
Benzene,2,4-dichloro-1-isothiocyanato-
2,4-Dichlorophenyl isothiocyanate
MRT5Y7B5A6
EINECS 229-527-6
af-100
EN300-20376
2,4-Dichlorophenyl isothiocyanate, 95%
F20918
FT-0762152
2,4-Dichlorophenylisothiocyanate
2,4-Dichloro-1-isothiocyanatobenzene
DTXSID30216117
BCP26064
NS00035931
FS-4169
2,4-Dichloro-1-isothiocyanatobenzene #
(3-Chloro-propyl)-methyl-carbamicacidtert-butylester
MFCD00037827
2,4-Dichloro-1-isothiocyanato-benzene
6590-96-1
D4912
SCHEMBL1021797
Isothiocyanic Acid 2,4-Dichlorophenyl Ester
J-802053
2,4-dichloro-1-isothiocyanatobenzene
2,4-Dichlorophenyl Isothiocyanate
WVBNZZHGECFCSH-UHFFFAOYSA-N
2,4-dichlorobenzenisothiocyanate

MDL Number

MFCD00037827

Customs Code

2930909090

FAQ

What regulatory guidelines apply to 2,4-Dichloro-1-isothiocyanatobenzene (CAS: 6590-96-1)?

2,4-Dichloro-1-isothiocyanatobenzene (CAS: 6590-96-1) must comply with various regulatory guidelines including the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations in the European Union, and FDA/EPA requirements for chemical safety and environmental protection. Specific handling and storage guidelines are outlined to ensure worker safety and environmental compliance.

Are there alternatives to 2,4-Dichloro-1-isothiocyanatobenzene (CAS: 6590-96-1) in synthesis?

There are several alternatives to 2,4-Dichloro-1-isothiocyanatobenzene (CAS: 6590-96-1) in synthesis, including isomers and analogs such as 2,4-Dichlorobenzonitrile. These alternatives can be used based on the specific reaction conditions and desired product properties, offering chemists more options for efficient and environmentally friendly synthesis methods.

What is the market or research trend for 2,4-Dichloro-1-isothiocyanatobenzene (CAS: 6590-96-1)?

The market for 2,4-Dichloro-1-isothiocyanatobenzene (CAS: 6590-96-1) is currently stable, with increasing emphasis on its use in research related to organic synthesis and medicinal chemistry. Recent trends indicate a growing interest in developing safer and more sustainable chemical alternatives, driven by both regulatory pressures and advancements in green chemistry approaches.

How should waste containing 2,4-Dichloro-1-isothiocyanatobenzene (CAS: 6590-96-1) be handled?

Waste containing 2,4-Dichloro-1-isothiocyanatobenzene (CAS: 6590-96-1) should be collected in appropriate containers and disposed of through safe incineration or professional waste disposal services that comply with local environmental regulations. Proper handling and storage during transport are crucial to prevent environmental contamination and ensure worker safety.