2,6-Diisopropylphenyl isocyanate

Basic Information

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CAS Number

28178-42-9

Molecular Formula

C13H17NO

Molecular Weight

203.28 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

Boiling Point

127°C/14mmHg

Refractive Index

n20/D 1.519(lit.)

SMILES

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

InChI

InChI=1S/C13H17NO/c1-9(2)11-6-5-7-12(10(3)4)13(11)14-8-15/h5-7,9-10H,1-4H3

InChIKey

FEUFNKALUGDEMQ-UHFFFAOYSA-N

LogP

3.900700000000003

Topological Polar Surface Area

29.43 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

225

Safety Information

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GHS Hazard Pictograms

H302

H315

H317

H318

H330

H334

H335

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H317 May cause an allergic skin reaction
Sensitization, Skin

H318 Causes serious eye damage
Serious eye damage/eye irritation

H330 Fatal if inhaled
Acute toxicity, inhalation

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

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 6.1 Class 6.1

Sensitiveness

Moisture Sensitive

Synonyms & References

English

Benzene, 2-isocyanato-1,3-bis(1-methylethyl)-
BRN 2645721
FT-0638767
NS00003375
2,6-bis(1-methylethyl)phenylisocyanate
DTXSID9051959
SCHEMBL191769
2-Isocyanato-1,3-diisopropyl-benzene
BDBM50409551
A819364
2,6-diisopropyl-phenylisocyanate
2,6-diisopropyl phenyl isocyanate
EINECS 248-885-4
2-Isocyanato-1,3-diisopropylbenzene #
2-isocyanato-1,3-di(propan-2-yl)benzene
AKOS015889872
1,3-Bis(1-methylethyl)-2-isocyanatobenzene
2,6-DIISOPROPYLPHENYLISOCYANATE
Benzene, 1,3-bis(1-methylethyl)-2-isocyanato-
2,6 diisopropylphenyl isocyanate
UNII-9F3446A37P
2.6-diisopropylphenyl isocyanate
Isocyanic acid, 2,6-diisopropylphenyl ester
9F3446A37P
2-Isocyanato-1,3-diisopropylbenzene
2-isocyanato-1,3-bis(propan-2-yl)benzene
SY049971
2,6-Diisopropylphenyl isocyanate, technical grade, 90%
2,6-bis (1-methylethyl)phenyl isocyanate
Isocyanic Acid 2,6-Diisopropylphenyl Ester
2,6-diisopropyl-phenyl isocyanate

MDL Number

MFCD00008882

Customs Code

2929109000

FAQ

What are the physical and chemical properties of 2,6-Diisopropylphenyl isocyanate (CAS: 28178-42-9)?

2,6-Diisopropylphenyl isocyanate (CAS: 28178-42-9) is a colorless to light yellow liquid with a molecular weight of approximately 240.4 g/mol. It has a solubility of up to 5 g/100 mL in dichloromethane and is slightly soluble in water. It is highly reactive, particularly towards nucleophiles, and can undergo addition reactions with a variety of compounds.

How is 2,6-Diisopropylphenyl isocyanate (CAS: 28178-42-9) typically synthesized?

2,6-Diisopropylphenyl isocyanate (CAS: 28178-42-9) can be synthesized through the reaction of 2,6-diisopropylphenol with phosgene or carbon dioxide in the presence of a suitable catalyst. This process provides high selectivity and yield, though it requires careful handling due to the toxic nature of phosgene.

What industries use 2,6-Diisopropylphenyl isocyanate (CAS: 28178-42-9)?

2,6-Diisopropylphenyl isocyanate (CAS: 28178-42-9) is primarily used in the pharmaceutical industry for the synthesis of various medicinal compounds. It also finds applications in the polymer industry for the production of special plastics and in the sensor industry for developing new sensors.

What precautions should be taken when handling 2,6-Diisopropylphenyl isocyanate (CAS: 28178-42-9)?

Proper personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn when handling 2,6-Diisopropylphenyl isocyanate (CAS: 28178-42-9). It should be conducted in a well-ventilated area or fume hood. Spills should be contained and cleaned up using appropriate absorbents, and the material safety data sheet (MSDS) should be referenced for detailed disposal information.