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Phenyl isocyanate

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Identification
Molecular formula
C7H5NO
CAS number
103-71-9
IUPAC name
isocyanatobenzene
State
State

At room temperature, phenyl isocyanate is typically in a liquid state.

Melting point (Celsius)
9.00
Melting point (Kelvin)
282.15
Boiling point (Celsius)
163.00
Boiling point (Kelvin)
436.15
General information
Molecular weight
119.12g/mol
Molar mass
119.1160g/mol
Density
1.0940g/cm3
Appearence

Phenyl isocyanate is a colorless to yellow liquid with a sharp, pungent odor.

Comment on solubility

Solubility of Isocyanatobenzene

Isocyanatobenzene, also known as phenyl isocyanate, is an organic compound with the chemical formula C7H5N2O. When discussing its solubility, several **key points** come to mind:

  • Polar vs. Non-Polar Solvents: Isocyanatobenzene exhibits **moderate solubility** in polar organic solvents such as ethanol and acetone, but it is generally **less soluble** in non-polar solvents like hexane.
  • Hydrogen Bonding: The presence of the isocyanate group (-N=C=O) allows for potential hydrogen bonding interactions with polar solvents, enhancing its solubility in these systems.
  • Temperature Influence: Like many organic compounds, the solubility of isocyanatobenzene can increase with temperature, making it **more soluble** at elevated temperatures.
  • Practical Applications: Understanding the solubility of isocyanatobenzene is vital for its use in various synthetic applications, including the production of **isocyanate derivatives** and as a reactant in polyurethanes.

In summary, the solubility characteristics of isocyanatobenzene are influenced by solvent polarity, temperature, and the ability to engage in molecular interactions such as hydrogen bonding. These factors should be taken into consideration when handling or utilizing this compound.

Interesting facts

Interesting Facts about Isocyanatobenzene

Isocyanatobenzene, also known as phenyl isocyanate, is an intriguing aromatic compound that plays a significant role in organic synthesis. Here are some fascinating insights:

  • Structural Characteristics: This compound features a benzene ring bonded to an isocyanate group (–N=C=O). Its unique structure contributes to its chemical reactivity and versatility in synthesis.
  • Uses in Synthesis: Isocyanatobenzene is a versatile building block in the synthesis of various chemicals. It is commonly employed in the production of pharmaceuticals, agrochemicals, and synthetic dyes.
  • Reactivity: The isocyanate group makes this compound highly reactive, allowing it to participate in various reactions such as nucleophilic addition and urea formation. This reactivity is crucial in the manufacturing processes of polyurethanes and other polymers.
  • Toxicity Considerations: Isocyanatobenzene is known to be toxic and can cause respiratory issues, skin irritation, and other health concerns upon exposure. Proper safety measures and handling protocols are essential when working with this compound.
  • Research Applications: Beyond industrial use, isocyanatobenzene has found a place in academic research, particularly in studies related to polymer chemistry and materials science.

In summary, isocyanatobenzene is not only important in industrial applications but also significant in the realm of chemical research, making it an essential compound in the toolkit of chemists.

Synonyms
PHENYL ISOCYANATE
Isocyanatobenzene
103-71-9
Benzene, isocyanato-
Phenylcarbimide
phenylisocyanate
Carbanil
Phenyl carbonimide
Fenylisokyanat
PhNCO
Isocyanic acid, phenyl ester
Mondur P
isocyanato-benzene
Karbanil
Additive ti
HSDB 5356
UNII-196GO6BSOH
EINECS 203-137-6
NSC 74454
UN2487
CHEBI:53806
AI3-28250
BENZENE,ISOCYANATE
NSC-74454
196GO6BSOH
PHENYL ISOCYANATE [MI]
DTXSID5051521
PHENYL ISOCYANATE [HSDB]
EC 203-137-6
UN 2487
Karbanil [Czech]
Fenylisokyanat [Czech]
Isocyanic Acid Phenyl Ester
phenyl isocynate
phenyl-isocyanate
isocyanato benzene
Carba0
1-isocyanatobenzene
4-isocyanatobenzene
benzene, isocyanato
phenyl isocyanate, 14C-labeled cpd
Phenyl isocyanic acid
Isocyanate, phenyl ester
WLN: OCNR
Epitope ID:117716
SCHEMBL5925
Phenyl isocyanate, >=98%
Phenyl ester of isocyanic acid
DTXCID1030070
1,2-Diacylglycerol-LD-PI-pool
NSC74454
Phenyl isocyanate, p.a., 99.5%
BBL013184
STL163963
AKOS000119300
Phenyl isocyanate [UN2487] [Poison]
DB-013866
I0131
NS00010655
EN300-21290
Phenyl isocyanate, technical, >=98.0% (GC)
A800789
Q408413
Phenyl isocyanate, for HPLC derivatization, >=99.0% (GC)