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1-Bromo-3-isothiocyanatobenzene

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Identification
Molecular formula
C7H4BrNS
CAS number
25121-79-5
IUPAC name
1-bromo-3-isothiocyanato-benzene
State
State

At room temperature, 1-Bromo-3-isothiocyanatobenzene is usually found in a solid state. The compound can be stored in standard conditions away from moisture and extreme temperatures to maintain its stability.

Melting point (Celsius)
27.00
Melting point (Kelvin)
300.15
Boiling point (Celsius)
323.00
Boiling point (Kelvin)
596.15
General information
Molecular weight
228.09g/mol
Molar mass
228.0680g/mol
Density
1.6100g/cm3
Appearence

1-Bromo-3-isothiocyanatobenzene is typically found as a solid. It may appear as a crystalline or powdered solid and can vary from colorless to pale yellow in appearance depending on its purity and physical state. It does not have any distinctive odor.

Comment on solubility

Solubility of 1-bromo-3-isothiocyanato-benzene

The solubility of 1-bromo-3-isothiocyanato-benzene is an intriguing topic due to its structural characteristics and functional groups. This compound features both a bromo group and an isothiocyanate, which significantly influence its solubility properties. Here are some insights:

  • Polarity: The presence of the isothiocyanate group introduces a degree of polarity to the molecule, which can enhance solubility in polar solvents.
  • Solvent Compatibility: It tends to be more soluble in organic solvents such as ethanol, acetone, or dimethyl sulfoxide (DMSO) compared to water, owing to its non-polar benzene ring.
  • Hydrogen Bonding: The isothiocyanate group can engage in hydrogen bonding with polar solvents, thereby potentially increasing solubility.
  • Temperature Effect: Increasing temperature may improve the solubility, a common trend observed in many organic compounds.

However, specific solubility values in various solvents are typically required for more precise applications. As a notable point, compounds with complex structures like 1-bromo-3-isothiocyanato-benzene often exhibit varying solubility behavior based on environmental conditions and solvent characteristics.

Interesting facts

Interesting Facts about 1-Bromo-3-isothiocyanato-benzene

1-Bromo-3-isothiocyanato-benzene is a fascinating compound, particularly within the field of organic chemistry. It brings together unique elements that impact its reactivity and application. Here are some engaging aspects of this compound:

  • Synthesis and Reactivity: This compound is characterized by its isothiocyanate functional group, which is generated through the reaction of amines with carbon disulfide. Its strong nucleophilic properties make it an interesting candidate for various synthetic pathways.
  • Role in Material Science: The presence of the isothiocyanate group in this structure has made it a subject of interest in the development of advanced materials, including polymers and coatings that exhibit unique properties.
  • Biological Activity: Isothiocyanates are widely recognized for their potential health benefits. They have been studied for their anti-cancer properties and are present in cruciferous vegetables, underscoring their biological relevance.
  • Agrochemical Applications: The compound has been explored for its use in agriculture, particularly as a pesticide. Its structure lends itself to efficacy against certain pests, making it a subject of research in sustainable farming practices.

In summary, the study of 1-bromo-3-isothiocyanato-benzene is not just about understanding its chemical properties but also appreciating its potential applications in various fields such as material science and agriculture. This compound exemplifies how the intricate details of molecular structure can lead to a diversity of impactful uses.

Synonyms
3-Bromophenyl isothiocyanate
2131-59-1
DTXSID30175578
DTXCID4098069
626-323-2
1-Bromo-3-isothiocyanatobenzene
Benzene, 1-bromo-3-isothiocyanato-
3-Bromophenylisothiocyanate
m-Bromophenyl isothiocyanate
ISOTHIOCYANIC ACID, m-BROMOPHENYL ESTER
MFCD00004803
1-Bromo-3-isothiocyanato-benzene
Benzene,1-bromo-3-isothiocyanato-
Isothiocyanic Acid 3-Bromophenyl Ester
BRN 2081173
m-Bromphenylisothiocyanat
SCHEMBL1020537
ZMGMGHNOACSMQN-UHFFFAOYSA-
1-Bromo-3-isothiocyanatobenzene #
1-bromanyl-3-isothiocyanato-benzene
3-Bromophenyl isothiocyanate, 97%
CAA13159
AKOS000212189
BP-12889
SY001060
DB-022392
I0524
EN300-15010
D91176
3-12-00-01427 (Beilstein Handbook Reference)
A815265
F2121-0330
InChI=1/C7H4BrNS/c8-6-2-1-3-7(4-6)9-5-10/h1-4H