1,4-Diisocyanatobenzene | CAS No. 104-49-4

Q: What is 1,4-Diisocyanatobenzene (CAS: 104-49-4)?

1,4-Diisocyanatobenzene (CAS: 104-49-4) is an organic compound with the chemical formula C8H6N2O2. It is a pale yellow liquid with a sharp odor, known for its reactivity due to the presence of two isocyanate groups. This compound is commonly used as an intermediate in the synthesis of polyurethanes and other chemical products.

Q: What are the main uses of 1,4-Diisocyanatobenzene (CAS: 104-49-4)?

1,4-Diisocyanatobenzene (CAS: 104-49-4) is primarily used in the production of polyurethanes, which find applications in coatings, adhesives, and flexible foams. It is also employed in pharmaceuticals for drug development and in research for synthesizing various chemical derivatives. Its industrial applications include use as a coupling agent and in the manufacture of specialty chemicals.

Q: Is 1,4-Diisocyanatobenzene (CAS: 104-49-4) safe?

1,4-Diisocyanatobenzene (CAS: 104-49-4) is not considered safe for human exposure and requires careful handling. It is toxic and can cause skin and respiratory irritation. Safety standards recommend using appropriate protective equipment, such as gloves and respirators, and working in well-ventilated areas. Proper training and adherence to safety guidelines are essential when handling this compound.

Q: How should 1,4-Diisocyanatobenzene (CAS: 104-49-4) be stored?

1,4-Diisocyanatobenzene (CAS: 104-49-4) should be stored in a cool, dry, and well-ventilated area, away from light and moisture. It is best kept in a sealed, airtight container made of materials resistant to chemical reactions. Storage conditions should maintain temperatures below 25°C and humidity levels below 60% to ensure stability and prevent degradation.

1,4-Diisocyanatobenzene

Basic Information

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CAS Number

104-49-4

Molecular Formula

C8H4N2O2

Molecular Weight

160.13 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

94.0 to 98.0 deg-C

Boiling Point

118°C/14mmHg

Solubility

THF: soluble

Refractive Index

1.4900 (estimate)

Vapor Pressure

<0.01 mmHg ( 20 °C)

SMILES

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C1=CC(=CC=C1N=C=O)N=C=O

InChI

InChI=1S/C8H4N2O2/c11-5-9-7-1-2-8(4-3-7)10-6-12/h1-4H

InChIKey

ALQLPWJFHRMHIU-UHFFFAOYSA-N

LogP

1.6212

Topological Polar Surface Area

58.86 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

205

Safety Information

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GHS Hazard Pictograms

H302

H312

H315

H318

H332

H334

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

H315 Causes skin irritation
Skin corrosion/irritation

H318 Causes serious eye damage
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled
Sensitization, respiratory

Hazard Class

Class 6.1 Class 6.1

Stability

Stable. Combustible. Incompatible with strong oxidising agents, strong alkalies, strong acids, alcohols, amines. Moisture sensitive.

Sensitiveness

Sensitive to moisture and heat

Synonyms & References

English

UNII-OKE64XZR2L
NS00020462
trans-Styrilacetic acid
NSC94776
p-Phenylene isocyanate
1,4-diisocyanato-benzene
EINECS 203-207-6
1,4-Diisocyanatobenzene
paraphenylene diisocyanate
J-504009
J-800251
EN300-20167
SCHEMBL15430
OKE64XZR2L
Isocyanic acid, p-phenylene ester
104-49-4
NSC-94776
HYDROQUINONE, DIISOCYANATE
NCIOpen2_001342
BENZENE, 1,4-DIISOCYANATO-
Q13427524
p-phenylenediisocyanate
FT-0631571
DTXSID3025883
1,4-PHENYLENEBIS(ISOCYANATE)
PPDI
1,4-Benzenediisocyanate
Benzene,4-diisocyanato-
4,4'-Phenylisocyanate
1,4-Phenylene diisocyanate [Diisocyanates]
Phenylene-1,4-diisocyanate

MDL Number

MFCD00002025

Customs Code

2929109000

FAQ

What is 1,4-Diisocyanatobenzene (CAS: 104-49-4)?

1,4-Diisocyanatobenzene (CAS: 104-49-4) is an organic compound with the chemical formula C8H6N2O2. It is a pale yellow liquid with a sharp odor, known for its reactivity due to the presence of two isocyanate groups. This compound is commonly used as an intermediate in the synthesis of polyurethanes and other chemical products.

What are the main uses of 1,4-Diisocyanatobenzene (CAS: 104-49-4)?

1,4-Diisocyanatobenzene (CAS: 104-49-4) is primarily used in the production of polyurethanes, which find applications in coatings, adhesives, and flexible foams. It is also employed in pharmaceuticals for drug development and in research for synthesizing various chemical derivatives. Its industrial applications include use as a coupling agent and in the manufacture of specialty chemicals.

Is 1,4-Diisocyanatobenzene (CAS: 104-49-4) safe?

1,4-Diisocyanatobenzene (CAS: 104-49-4) is not considered safe for human exposure and requires careful handling. It is toxic and can cause skin and respiratory irritation. Safety standards recommend using appropriate protective equipment, such as gloves and respirators, and working in well-ventilated areas. Proper training and adherence to safety guidelines are essential when handling this compound.

How should 1,4-Diisocyanatobenzene (CAS: 104-49-4) be stored?

1,4-Diisocyanatobenzene (CAS: 104-49-4) should be stored in a cool, dry, and well-ventilated area, away from light and moisture. It is best kept in a sealed, airtight container made of materials resistant to chemical reactions. Storage conditions should maintain temperatures below 25°C and humidity levels below 60% to ensure stability and prevent degradation.