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Phenyl isothiocyanate

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Identification
Molecular formula
C8H5NS
CAS number
103-72-0
IUPAC name
isothiocyanatomethylbenzene
State
State

It is usually found in the liquid state at room temperature.

Melting point (Celsius)
-29.00
Melting point (Kelvin)
244.00
Boiling point (Celsius)
221.00
Boiling point (Kelvin)
494.00
General information
Molecular weight
135.19g/mol
Molar mass
135.1950g/mol
Density
1.1000g/cm3
Appearence

Phenyl isothiocyanate typically appears as a colorless to pale yellow liquid. It has a sharp, pungent odor characteristic of isothiocyanates.

Comment on solubility

Solubility of Isothiocyanatomethylbenzene (C8H5NS)

Isothiocyanatomethylbenzene, also known by its IUPAC name, exhibits a unique solubility profile due to its chemical structure. This compound features both aromatic and isothiocyanate functionalities which significantly influence its behavior in various solvents.

Solvent Interactions

The solubility of isothiocyanatomethylbenzene can vary widely depending on the solvent used. Here are some general observations:

  • Polar solvents: Isothiocyanatomethylbenzene is generally more soluble in polar organic solvents such as ethanol, acetone, and dichloromethane. The presence of the isothiocyanate group enhances its ability to interact with polar molecules.
  • Non-polar solvents: While less soluble, it can still dissolve in non-polar solvents like hexane or toluene, albeit to a lesser extent. This is primarily due to the hydrophobic character of the aromatic ring.
  • Aqueous solubility: Its solubility in water is minimal, making it challenging to work with in aqueous environments. This limited solubility may be attributed to the molecule's hydrophobic regions and the strong intermolecular forces present in water.

Conclusion

Understanding the solubility of isothiocyanatomethylbenzene is crucial for its application in synthesis and formulation. As a general guideline, it’s important to consider the solvent's polarity and its capacity to stabilize the compound's structure while conducting experiments or formulating products. In summary, it's a compound that thrives in organic solvents but shies away from water's embrace.

Interesting facts

Interesting Facts About Isothiocyanatomethylbenzene

Isothiocyanatomethylbenzene, also known as benzyl isothiocyanate, is an intriguing compound with a variety of applications and properties that make it valuable in both chemical research and commercial use. Here are some fascinating points about this unique compound:

  • Natural Occurrence: This compound can be derived from mustard oil, as well as from other cruciferous plants. It contributes to the characteristic pungent flavor found in many Brassicaceae vegetables.
  • Biological Activity: Isothiocyanatomethylbenzene demonstrates significant biological activities. Studies have shown that it possesses anti-cancer properties, potentially inhibiting the growth of tumor cells.
  • Chemical Behavior: This compound is an excellent example of an isothiocyanate, which is characterized by the presence of the functional group -N=C=S. This contributes to its reactivity with various nucleophiles, playing a role in organic synthesis.
  • Use in Synthesis: In organic chemistry, isothiocyanatomethylbenzene can act as a versatile building block for synthesizing a range of other chemical compounds, including potential pharmaceutical agents.
  • Pesticidal Properties: Isothiocyanates, including isothiocyanatomethylbenzene, are known for their insecticidal properties, making them useful in agricultural applications as bio-pesticides.

Researchers continue to explore the potential of isothiocyanatomethylbenzene, highlighting its significance not only in chemistry but also in life sciences. As we delve deeper into the study of isothiocyanates, we uncover more about their environmental benefits and health implications.

As one scholar noted, "The power of these natural compounds lies in their ability to combat disease while also being gentle on the environment." This statement encapsulates the essence of isothiocyanatomethylbenzene and its relevance in today's scientific discourse.

Synonyms
benzyl isothiocyanate
622-78-6
Benzylisothiocyanate
(Isothiocyanatomethyl)benzene
Benzylsenfoel
Tromacaps
Tromalyt
Urogran
Isothiocyanic acid, benzyl ester
Benzene, (isothiocyanatomethyl)-
Benzyl-isothiocyanate
isothiocyanatomethylbenzene
Isothiocyanic Acid Benzyl Ester
alpha-isothiocyanatotoluene
phenylmethyl isothiocyanate
Isothiocyanotaomethylbenzene
PMITC cpd
BITC
MFCD00004819
Toluene, alpha-isothiocyanato-
Benzylsenfoel [German]
AB 2 (VAN)
CCRIS 3145
NSC 118976
Isothiocyanatomethyl)benzene
isothiocyanatomethyl-benzene
EINECS 210-753-9
UNII-871J6YOR8Q
BRN 0386135
1-(isothiocyanatomethyl)benzene
871J6YOR8Q
AB 2
DTXSID0020155
CHEBI:17484
AI3-02736
NSC118976
NSC-118976
(isothiocyanatomethyl)-benzene
CHEMBL55285
DTXCID60155
FEMA NO. 4428
Toluene, .alpha.-isothiocyanato-
4-12-00-02276 (Beilstein Handbook Reference)
Benzylsenfoel (german)
BENZYL ISOTHIOCYANATE (MART.)
BENZYL ISOTHIOCYANATE [MART.]
SR-05000002381
Tromocaps
benzene isothiocyanate
Benzyl isothio cyanate
Spectrum_001820
SpecPlus_000684
Tromalyt active substance
Spectrum2_000852
Spectrum3_000793
Spectrum4_001059
Spectrum5_001837
WLN: SCN1R
NCIMech_000859
alpha-Isothiocyanato-Toluene
isothiocyanato-methyl-benzene
Benzyl isothiocyanate, 98%
SCHEMBL44145
BSPBio_002526
KBioGR_001358
KBioSS_002323
DivK1c_006780
SPECTRUM1503006
SPBio_000863
(Isothiocyanatomethyl)benzene #
BITC, 17
Toluene, alpha -isothiocyanato-
KBio1_001724
KBio2_002321
KBio2_004889
KBio2_007457
KBio3_001746
Benzyl isothiocyanate, 98%, FG
HMS1921P18
Pharmakon1600-01503006
(Isothiocyanatomethyl)benzene, 9CI
BENZYL ISOTHIOCYANATE [FHFI]
Tox21_201191
BBL013129
BDBM50240520
BENZYLISOTHIOCYANATE [WHO-DD]
CCG-35868
NSC758206
s4783
STK399787
AKOS000212138
NSC-758206
PB43176
SDCCGMLS-0066697.P001
QTL1_000013
NCGC00094982-01
NCGC00094982-02
NCGC00094982-03
NCGC00094982-04
NCGC00258743-01
Benzyl isothiocyanate, analytical standard
BP-12924
CAS-622-78-6
HY-77813
NCI60_000455
PS-10308
SY010809
SBI-0052749.P002
DB-022613
CS-0006958
I0224
NS00011736
EN300-17059
C03098
F16583
AB00053249_03
SR-05000002381-1
SR-05000002381-2
BRD-K80253852-001-04-4
Q18341725
Z56869309
F0001-1663
210-753-9