1,3-Bis(2-isocyanato-2-propanyl)benzene

Basic Information

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CAS Number

2778-42-9

Molecular Formula

C14H16N2O2

Molecular Weight

244.29 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

Melting Point

-10°C

Boiling Point

106°C/0.9mmHg

Density

1.06 g/mL at 25 °C

Flash Point

308 °F

Refractive Index

n20/D 1.511(lit.)

SMILES

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CC(C)(N=C=O)c1cccc(c1)C(C)(C)N=C=O

InChI

InChI=1S/C14H16N2O2/c1-13(2,15-9-17)11-6-5-7-12(8-11)14(3,4)16-10-18/h5-8H,1-4H3

InChIKey

AZYRZNIYJDKRHO-UHFFFAOYSA-N

LogP

2.828400000000001

Topological Polar Surface Area

58.86 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

353

Safety Information

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Hazard Statement

H303 May be harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H317 May cause an allergic skin reaction
Sensitization, Skin

H320 Causes eye irritation
Serious eye damage/eye irritation

H330 Fatal if inhaled
Acute toxicity, inhalation

H400 Very toxic to aquatic life
Hazardous to the aquatic environment, acute hazard

Hazard Class

Class 6.1(b) Class 6.1(b)

Synonyms & References

English

1,3-BIS(2-ISOCYANATO-2-PROPYL)BENZENE
Benzene, 1,3-bis(1-isocyanato-1-methylethyl)-
1,3-bis (1-methyl-1-isocyanatoethyl)benzene
1,3-Bis(1-isocyanato-1-methylethyl)benzene
1,3-bis-(2-isocyanato-prop-2-yl)-benzene
1,3-Bis(2-isocyanoto-2-propyl)benzene
Bisisocyanotopropylbenzene
META-TETRAMETHYLXYLENEDIISOCYANATE
m-pheny dimethyl diisocyanate
m-tetramethylxylenediisocyanate
m-tmxdi
tetramethyl-m-xylylenediisocyanate
TMXDI
m-Tetramethylxylene diisocyanate
1,3-bis(2-isocyanatopropan-2-yl)benzene
Tetramethyl-m-xylylene diisocyanate
YMD74QL0TC
1,3-Bis(alpha-isocyanatoisopropyl)benzene
AZYRZNIYJDKRHO-UHFFFAOYSA-N
Isocyanic acid, m-phenylenediisopropylidene ester
alpha,alpha,alpha',alpha'-Tetramethyl-m-xylylene d
1,3-BIS(1-ISOCYANATO-1-METHYLETHYL)BENZENE
1,3-Bis(2-isocyanato-2-propyl)benzene
DSSTox_CID_7498
DSSTox_RID_78473
DSSTox_GSID_27498
m-TMXDI
alp

MDL Number

MFCD00142493

Customs Code

2929109000

FAQ

What are the physical and chemical properties of 1,3-Bis(2-isocyanato-2-propanyl)benzene (CAS: 2778-42-9)?

1,3-Bis(2-isocyanato-2-propanyl)benzene (CAS: 2778-42-9) is a solid crystalline compound with a molecular weight of approximately 276.27 g/mol. It is poorly soluble in water but soluble in organic solvents such as dichloromethane and acetone. The compound exhibits strong reactivity, particularly towards nucleophiles and hydrolysis under basic conditions.

How is 1,3-Bis(2-isocyanato-2-propanyl)benzene (CAS: 2778-42-9) typically synthesized?

1,3-Bis(2-isocyanato-2-propanyl)benzene is typically synthesized via the reaction of 1,3-bis(bromomethyl)benzene with phosgene in the presence of a catalyst, such as anhydrous zinc chloride. The reaction provides high selectivity and yields up to 90% of the desired product.

What industries use 1,3-Bis(2-isocyanato-2-propanyl)benzene (CAS: 2778-42-9)?

1,3-Bis(2-isocyanato-2-propanyl)benzene (CAS: 2778-42-9) is used in various industries, including pharmaceuticals, where it serves as a building block for complex molecules. It is also utilized in the production of polymers for coatings and adhesives, and in the development of sensors and semiconductors.

What precautions should be taken when handling 1,3-Bis(2-isocyanato-2-propanyl)benzene (CAS: 2778-42-9)?

When handling 1,3-Bis(2-isocyanato-2-propanyl)benzene (CAS: 2778-42-9), it is essential to wear personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Ensure the use of a fume hood during preparation. Spills should be contained and cleaned up using appropriate absorbent materials. Refer to the safety data sheet (SDS) for detailed safety information and emergency procedures.