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Benzyl isothiocyanate dichloride

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Identification
Molecular formula
C8H5Cl2NS
CAS number
15396-00-6
IUPAC name
1,2-dichloro-4-(isothiocyanatomethyl)benzene
State
State

This compound is in a solid state with a tendency to form crystalline structures at room temperature. It can also be found as a somewhat viscous liquid due to the presence of isothiocyanate grouping when slightly above its melting point.

Melting point (Celsius)
50.00
Melting point (Kelvin)
323.15
Boiling point (Celsius)
280.00
Boiling point (Kelvin)
553.15
General information
Molecular weight
218.09g/mol
Molar mass
218.0880g/mol
Density
1.3450g/cm3
Appearence

1,2-Dichloro-4-(isothiocyanatomethyl)benzene appears as a yellow to orange liquid or crystals which has a distinct and pungent odor characteristic of isothiocyanate compounds.

Comment on solubility

Solubility Insights on 1,2-Dichloro-4-(isothiocyanatomethyl)benzene

1,2-Dichloro-4-(isothiocyanatomethyl)benzene demonstrates unique solubility characteristics that can be quite fascinating. Its solubility is influenced by various factors, including polarity, hydrogen bonding, and molecular interactions.

Solubility Profile:

  • Polarity: As a chlorinated compound with a complex side group, it can interact with both polar and nonpolar solvents.
  • Hydrogen Bonding: The presence of the isothiocyanate functional group allows for potential hydrogen bonding, enhancing solubility in polar solvents such as water.
  • Solvent Compatibility: It is likely to be soluble in organic solvents like dichloromethane and acetone, but may exhibit limited solubility in more hydrophobic solvents.

In essence, the solubility of 1,2-dichloro-4-(isothiocyanatomethyl)benzene can be summarized as:

  1. Moderately soluble in polar solvents due to hydrogen bonding potential.
  2. More soluble in organic solvents, owing to its structural characteristics.
  3. Solvation behavior can vary significantly with temperature and solvent choice, indicating a dynamic nature.

Overall, understanding the solubility of this compound not only helps in practical applications but also provides insights into its chemical behavior and interaction with various substances.

Interesting facts

Interesting Facts about 1,2-Dichloro-4-(isothiocyanatomethyl)benzene

1,2-Dichloro-4-(isothiocyanatomethyl)benzene, often referred to simply as a dichlorinated aromatic compound, presents a fascinating profile worth exploring. As a member of the chlorobenzene family, this compound has some remarkable applications and properties that make it intriguing to chemists.

Chemical Structure and Functionality

This compound features a unique molecular structure comprising:

  • Two chlorine atoms replacing hydrogen atoms in the benzene ring, which enhances its reactivity.
  • An isothiocyanate functional group (-N=C=S), known for its use in synthesizing various organic compounds.
  • It’s position at the 4th carbon that contributes to its distinct chemical behavior.

Applications and Uses

1,2-Dichloro-4-(isothiocyanatomethyl)benzene is notably employed in various fields:

  • Agricultural Chemistry: It serves as an intermediate for producing pesticides, which help protect crops from pests.
  • Pharmaceuticals: The compound is used in the synthesis of certain pharmaceuticals, enabling the creation of drugs with specific biological activities.
  • Research and Development: Chemists often study this compound to understand the effects of substituents on chemical reactivity and stability.

Environmental Considerations

As with many chlorinated compounds, there are notable environmental and health concerns associated with 1,2-dichloro-4-(isothiocyanatomethyl)benzene:

  • It is crucial to follow safety guidelines when handling, as chlorinated compounds can be toxic.
  • Environmental scientists continuously monitor its impact on ecosystems, especially how it breaks down in various environmental conditions.

In summary, 1,2-dichloro-4-(isothiocyanatomethyl)benzene is not only significant in its applications but also sparks interest in its chemical properties. As chemists delve deeper into its functionalities, we can anticipate exciting developments in chemistry and related fields.

Synonyms
3,4-Dichlorobenzyl isothiocyanate
Benzene, 1,2-dichloro-4-(isothiocyanatomethyl)-
ISOTHIOCYANIC ACID, (3,4-DICHLOROBENZYL) ESTER
KF6B7CSR5N
NSC 221245
BRN 2937608
NSC-221245
DTXSID20172379
4-12-00-02393 (Beilstein Handbook Reference)
DTXCID9094870
Benzene, 1,2-dichloro-4-(isothiocyanatomethyl)-(9CI)
DPSSHXWTNIGVMQ-UHFFFAOYSA-N
18967-42-5
1,2-Dichloro-4-(isothiocyanatomethyl)benzene
3,4-DICHLOROBENZylisoTHIOCYANATE
MFCD00041113
3,4-Dichloro-(isothiocyanatomethyl)-benzene
NSC221245
UNII-KF6B7CSR5N
WLN: SCN1R CG DG
SCHEMBL1457458
SCHEMBL31121581
AKOS005206709
(3,4-dichlorophenyl)methanisothiocyanate
BS-42162
SY062132
Isothiocyanic acid,4-dichlorobenzyl) ester
DB-021859
ST50825683
Benzene,2-dichloro-4-(isothiocyanatomethyl)-
D94595
1,2-Dichloro-4-(isothiocyanatomethyl)benzene #
A813344
1,2-bis(chloranyl)-4-(isothiocyanatomethyl)benzene