1,1',1''-Methanetriyltris(4-isocyanatobenzene)

Basic Information

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CAS Number

2422-91-5

Molecular Formula

C22H13N3O3

Molecular Weight

367.36 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

SMILES

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C1=CC(=CC=C1C(C2=CC=C(C=C2)N=C=O)C3=CC=C(C=C3)N=C=O)N=C=O

InChI

InChI=1S/C22H13N3O3/c26-13-23-19-7-1-16(2-8-19)22(17-3-9-20(10-4-17)24-14-27)18-5-11-21(12-6-18)25-15-28/h1-12,22H

InChIKey

LTIKIBFTASQKMM-UHFFFAOYSA-N

LogP

4.768700000000004

Topological Polar Surface Area

88.28999999999999 Å²

Hydrogen Bond Donor/Acceptor

0 / 6

Complexity

548

Safety Information

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Hazard Class

Class 6.1(a) Class 6.1(a)

Synonyms & References

English

AKOS015965121
Benzene, 1,1',1''-methylidynetris(4-isocyanato-
EINECS 219-351-8
DTXSID7062401
Benzene,1,1',1''-methylidynetris[4-isocyanato-
tris(4-isocyanatophenyl)methane
Methylidynetri-p-phenylene triisocyanate
C22H13N3O3
1-[bis(4-isocyanatophenyl)methyl]-4-isocyanatobenzene
2422-91-5
SCHEMBL93536
Q-201894
NS00005493
AM84824
1,1',1''-Methylidynetris[4-isocyanato-benzene (25-35% in ethyl acetate)
Benzene, 1,1',1''-methylidynetris[4-isocyanato-
EC 219-351-8
METHYLIDYNE TRIS-P-PHENYLENE TRIISOCYANATE
METHYLIDYNETRI-P-PHENYLENE TRIISOCYANATE
1,1',1''-methanetriyltris(4-isocyanatobenzene)
1,1’,1&quot
4,4',4''-triphenylmethane triisocyanate
AC1L2OW9
AC1Q6BME
AR-1B3786
CTK4F3142
KST-1B2215
Tris-(4-isocyanato-phenyl)-methan
tris(4-isocyanatophenyl)-methane
tris-(4-isocyanato-phenyl)-methane
1,1',1''-Methylidynetris4-isocyanato-benzene (25-35% in ethyl acetate)

MDL Number

MFCD00053287

FAQ

What is 1,1',1''-Methanetriyltris(4-isocyanatobenzene) (CAS: 2422-91-5)?

1,1',1''-Methanetriyltris(4-isocyanatobenzene) is a complex organic compound with the CAS number 2422-91-5. It is a trimer of 4-isocyanatobenzene and is characterized by its high reactivity and colorless appearance. Its chemical formula is C₁₈H₁₀N₆. This compound is used in the synthesis of polyurethane and as a reagent in organic chemistry due to its isocyanate groups.

What are the main uses of 1,1',1''-Methanetriyltris(4-isocyanatobenzene) (CAS: 2422-91-5)?

1,1',1''-Methanetriyltris(4-isocyanatobenzene) is primarily used in the production of polyurethane foams and elastomers. It serves as a key precursor in the synthesis of polyurethane polymers and is also employed in high-performance coatings, adhesives, and specialty chemical applications.

Is 1,1',1''-Methanetriyltris(4-isocyanatobenzene) (CAS: 2422-91-5) safe?

1,1',1''-Methanetriyltris(4-isocyanatobenzene) is generally safe when handled with appropriate precautions. However, it is highly reactive and toxic due to its isocyanate groups. It can cause skin irritation and respiratory issues if inhaled or contacted directly. Proper protective equipment, including gloves and respirators, should be worn during handling. It is also important to ensure good ventilation in the work area.

How should 1,1',1''-Methanetriyltris(4-isocyanatobenzene) (CAS: 2422-91-5) be stored?

1,1',1''-Methanetriyltris(4-isocyanatobenzene) should be stored in a cool, dry place away from heat and sources of ignition. It should be kept in a tightly sealed container to prevent moisture and light exposure, which can accelerate degradation. The storage temperature should be below 25°C to ensure stability. Proper labeling and segregation from incompatible materials are also recommended to prevent chemical reactions and accidents.