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Identification
Molecular formula
C12H14N2O2
CAS number
2778-42-9
IUPAC name
1,3-bis(1-isocyanato-1-methyl-ethyl)benzene
State
State

At room temperature, 1,3-bis(1-isocyanato-1-methyl-ethyl)benzene is a liquid.

Melting point (Celsius)
-60.00
Melting point (Kelvin)
213.00
Boiling point (Celsius)
251.00
Boiling point (Kelvin)
524.00
General information
Molecular weight
216.26g/mol
Molar mass
216.2640g/mol
Density
1.0674g/cm3
Appearence

1,3-Bis(1-isocyanato-1-methyl-ethyl)benzene is a colorless to pale yellow liquid. It may appear clear when in its pure form and is known for its sharp odor, characteristic of isocyanates.

Comment on solubility

Solubility of 1,3-bis(1-isocyanato-1-methyl-ethyl)benzene

The solubility of 1,3-bis(1-isocyanato-1-methyl-ethyl)benzene can be quite intricate due to its chemical structure and functional groups. This compound contains isocyanate groups, which have unique interactions with solvents. Here are some key points to consider regarding its solubility:

  • Good Solubility in Organic Solvents: Generally, compounds with isocyanate groups, like this one, exhibit good solubility in many organic solvents such as acetone, ether, and chloroform.
  • Poor Solubility in Water: Due to its hydrophobic nature, 1,3-bis(1-isocyanato-1-methyl-ethyl)benzene is not expected to dissolve well in water. Isocyanates tend to react with water to form urea derivatives rather than dissolving.
  • Temperature Effect: The solubility can also be influenced by temperature, where an increase may enhance its dissolution in organic solvents, thus altering its reactivity and potential applications.

In summary, while 1,3-bis(1-isocyanato-1-methyl-ethyl)benzene finds good solubility in organic solvents, its interaction with water can lead to significant reactivity rather than simple dissolution. It is crucial to consider these aspects when working with or researching this compound.

Interesting facts

Interesting Facts about 1,3-bis(1-isocyanato-1-methyl-ethyl)benzene

1,3-bis(1-isocyanato-1-methyl-ethyl)benzene is a fascinating compound with a variety of applications and characteristics that make it stand out in the realm of organic chemistry. Here are some intriguing aspects of this compound:

  • Isocyanate Functional Group: The presence of isocyanate groups in this compound plays a crucial role in its reactivity, making it an important intermediate in the synthesis of polyurethanes, which are widely used in foams, elastomers, and coatings.

  • Versatility: This compound can react with a variety of nucleophiles, such as amines and water, leading to the formation of urea and carbamate derivatives. This versatility opens up numerous synthetic pathways for chemists.

  • Applications in Material Science: Due to its unique structure, 1,3-bis(1-isocyanato-1-methyl-ethyl)benzene is employed in the development of advanced materials, particularly in the field of high-performance polymers, where flexibility and durability are essential.

  • Health and Safety Considerations: Isocyanates are known to be hazardous, requiring careful handling and adequate safety measures in both laboratory and industrial settings. Awareness of their toxicity is paramount for chemists working with such compounds.

  • Impact on Research: Research into compounds like this one continues to drive innovations in polymer chemistry, including the development of more environmentally friendly processes and materials that reduce the reliance on traditional isocyanate systems.

In summary, 1,3-bis(1-isocyanato-1-methyl-ethyl)benzene is not just an intriguing chemical compound but also a significant player in the advancement of material science. Its unique properties and potential applications provide endless opportunities for exploration and innovation in the field of chemistry.

Synonyms
2778-42-9
1,3-BIS(1-ISOCYANATO-1-METHYLETHYL)BENZENE
1,3-bis(2-isocyanatopropan-2-yl)benzene
Benzene, 1,3-bis(1-isocyanato-1-methylethyl)-
m-TMXDI
m-Tetramethylxylene diisocyanate
Tetramethyl-m-xylylene diisocyanate
1,3-Bis(alpha-isocyanatoisopropyl)benzene
YMD74QL0TC
EINECS 220-474-4
Isocyanic acid, m-phenylenediisopropylidene ester
BRN 2811946
HSDB 7724
m-Bis(1-isocyanato-1-methylethyl)benzene
META-TETRAMETHYLXYLENE DIISOCYANATE
alpha,alpha,alpha',alpha'-Tetramethyl-m-xylylene diisocyanat
EC 220-474-4
alpha,alpha,alpha',alpha'-Tetramethyl-m-phenylenedimethylene diisocyanate
Isocyanic acid, alpha,alpha,alpha',alpha'-tetramethyl-m-xylylene ester
1,3-BIS(.ALPHA.-ISOCYANATOISOPROPYL)BENZENE
1,3-BIS(1-ISOCYANATO-1-METHYLETHYL)BENZENE [HSDB]
.ALPHA.,.ALPHA.,.ALPHA.',.ALPHA.'-TETRAMETHYL-1,3-XYLYLENE DIISOCYANATE
.ALPHA.,.ALPHA.,.ALPHA.',.ALPHA.'-TETRAMETHYL-M-PHENYLENEDIMETHYLENE DIISOCYANATE
ISOCYANIC ACID, .ALPHA.,.ALPHA.,.ALPHA.',.ALPHA.'-TETRAMETHYL-M-XYLYLENE ESTER
metaTMXDI
mTMXDI
META-TMXDI
mTetramethylxylene diisocyanate
Tetramethylmxylylene diisocyanate
Isocyanic acid, m-phenylenediisopropylidene ester (7CI)
metaTetramethylxylene diisocyanate
1,3Bis(aisocyanatoisopropyl)benzene
TMXDI (Meta) Aliphatic Isocyanate
mBis(1isocyanato1methylethyl)benzene
1,3Bis(1isocianato1metiletil)benceno
1,3Bis(1isocyanato1methylethyl)benzol
1,3Bis(alphaisocyanatoisopropyl)benzene
Benzene, 1,3bis(1isocyanato1methylethyl)
Isocyanic acid, mphenylenediisopropylidene
a,a,a',a'Tetramethylmxylylene diisocyanate
Isocyanic acid, mphenylenediisopropylidene ester
Isocyanic acid, a,a,a',a'tetramethylmxylylene ester
a,a,a',a'Tetramethylmphenylenedimethylene diisocyanate
alpha,alpha,alpha',alpha'Tetramethylmxylylene diisocyanat
alpha,alpha,alpha',alpha'-Tetramethyl-1,3-xylylene diisocyanate
alpha,alpha,alpha',alpha'Tetramethylmphenylenedimethylene diisocyanate
Isocyanic acid, alpha,alpha,alpha',alpha'tetramethylmxylylene ester
Isocyanic acid, alpha,alpha,alpha',alpha'tetramethylmxylylene ester (8CI)
Isocyanic acid, alpha,alpha,alpha',alpha'-tetramethyl-m-xylylene ester (8CI)
220-474-4
1,3-Bis(2-isocyanato-2-propyl)benzene
DTXSID4027498
DTXCID407498
TMXDI
CAS-2778-42-9
UNII-YMD74QL0TC
MFCD00142493
SCHEMBL34924
CHEMBL3183020
Tox21_202410
Tox21_303289
AKOS000120107
NCGC00164167-01
NCGC00164167-02
NCGC00257116-01
NCGC00259959-01
BS-43987
B1442
NS00003245
1,3-bis(1-isocyanato-1-methylethyl) benzene
EN300-20551
1,3-Bis(1-isocyanato-1-methylethyl)benzene #
1,3-bis-(1-isocyanato-1-methylethyl)-benzene
D95302
A819191
1,3-Bis(1-isocyanato-1-methylethyl)benzene, 97%
Q27294591