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1,2-dichloro-4-isocyanatobenzene

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Identification
Molecular formula
C7H3Cl2NO
CAS number
28479-22-3
IUPAC name
1,2-dichloro-4-isocyanato-benzene
State
State

At room temperature, it exists in a solid state.

Melting point (Celsius)
33.00
Melting point (Kelvin)
306.15
Boiling point (Celsius)
245.00
Boiling point (Kelvin)
518.15
General information
Molecular weight
204.02g/mol
Molar mass
204.0170g/mol
Density
1.4550g/cm3
Appearence

1,2-Dichloro-4-isocyanatobenzene appears as a pale yellow to light brown solid. It can manifest in powder or crystalline form.

Comment on solubility

Solubility of 1,2-Dichloro-4-isocyanato-benzene

The solubility of 1,2-dichloro-4-isocyanato-benzene (C7H4Cl2N2O) tends to be influenced by various factors, including its molecular structure and the presence of functional groups. Here are some key points regarding its solubility:

  • Polarity: The presence of the isocyanate group contributes to the overall polarity of the molecule, which may enhance its solubility in polar solvents.
  • Solvent Compatibility: 1,2-Dichloro-4-isocyanato-benzene is expected to be more soluble in organic solvents such as acetone and dichloromethane due to its aromatic nature. In contrast, its solubility in water may be limited.
  • Temperature Dependence: Like many organic compounds, solubility may increase with temperature, allowing for a more favorable interaction with solvents.
  • Hydrogen Bonding: The isocyanate group can participate in hydrogen bonding, potentially increasing interactions with polar solvent molecules.

Therefore, while its solubility in water might be low, the solubility profile of 1,2-dichloro-4-isocyanato-benzene is better evaluated in the context of organic solvents. Accurate solubility data may vary based on specific experimental conditions.

Interesting facts

Interesting Facts about 1,2-Dichloro-4-isocyanato-benzene

1,2-Dichloro-4-isocyanato-benzene, also known as chlorinated isocyanate derivative, is a fascinating compound that serves as an important building block in various chemical syntheses and industrial applications. Here are some interesting insights:

  • Versatility: This compound functions as a versatile intermediate in the production of various pharmaceuticals and agrochemicals, showcasing its importance in organic synthesis.
  • Toxicity Consideration: Given the presence of isocyanate functionality, handling this compound requires careful safety measures. Isocyanates are known to cause respiratory issues, making proper laboratory ventilation essential.
  • Reactivity: The presence of both chloro and isocyanate groups enhances its reactivity, allowing it to participate in nucleophilic substitution reactions. This property can be quite beneficial in synthetic pathways.
  • Role in Research: This compound is of interest in materials science due to its utility in synthesizing specialized polymers, which can have desirable characteristics such as stiffness and chemical resistance.
  • Environmental Impact: As with many chlorinated compounds, environmental persistence is a concern. Chemists are continuously working to assess and mitigate the ecological impacts of such substances.
  • Analytical Techniques: Characterization can be performed using various techniques such as NMR spectroscopy and mass spectrometry, allowing researchers to determine its structure and purity effectively.

In conclusion, 1,2-dichloro-4-isocyanato-benzene stands out not just for its chemical formula, but for its diverse applications and the careful considerations surrounding its use in both synthetic chemistry and environmental science. As chemistry students or professionals, understanding such compounds can pave the way for advancements in both industry and research.

Synonyms
3,4-DICHLOROPHENYL ISOCYANATE
102-36-3
1,2-Dichloro-4-isocyanatobenzene
Benzene, 1,2-dichloro-4-isocyanato-
Isocyanic Acid 3,4-Dichlorophenyl Ester
3,4-Dichlorfenylisokyanat
Isocyanic acid, 3,4-dichlorophenyl ester
HSDB 5348
UNII-OZW0B7F1DU
OZW0B7F1DU
3,4-Dichlorfenylisokyanat [Czech]
EINECS 203-026-2
NSC 76605
BRN 0608325
DTXSID9033008
AI3-28284
NSC-76605
3,4-Dichlorphenyl isocyanate
DTXCID7013008
EC 203-026-2
3-12-00-01405 (Beilstein Handbook Reference)
3,4-DICHLOROISOCYANATOBENZENE
MFCD00002017
3,4-Dichlorfenylisokyanat (Czech)
3,4-Dichlorphenylisocyanate
3,4-Dichlorophenylisocyanate
3,4Dichlorfenylisokyanat
1,2-DICHLORO-4-ISOCYANATO-BENZENE
3,4dichlorophenylisocyanate
SCHEMBL58874
1,2Dichloro4isocyanatobenzene
3,4 -dichlorophenylisocyanate
3,4-dichlorophenyl-isocyanate
3.4-dichlorophenyl-isocyanate
3,4-dichloro-phenyl isocyanate
CHEMBL1565705
Benzene, 1,2dichloro4isocyanato
Benzene,2-dichloro-4-isocyanato-
3,4-Dichlorophenyl isocyanic acid
NSC76605
Tox21_200085
1,2-Dichloro-4-isocyanatobenzene #
BBL027368
STK301773
UN2250
3,4-Dichlorophenyl isocyanate, 97%
Isocyanic acid,4-dichlorophenyl ester
AKOS000119288
FD00370
Isocyanic acid, 3,4dichlorophenyl ester
NCGC00090976-01
NCGC00090976-02
NCGC00090976-03
NCGC00257639-01
CAS-102-36-3
DB-021868
I0092
NS00002274
EN300-19004
D95232
Q4634062
F2190-0549
203-026-2