trans-1-Isocyanato-4-methylcyclohexane

Basic Information

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CAS Number

32175-00-1

Molecular Formula

C8H13NO

Molecular Weight

139.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Physical Properties

Boiling Point

182 ºC

Flash Point

60 ºC

Refractive Index

1.4532

SMILES

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CC1CCC(CC1)N=C=O

InChI

InChI=1S/C8H13NO/c1-7-2-4-8(5-3-7)9-6-10/h7-8H,2-5H2,1H3/t7-,8-

InChIKey

SWSXEZOUBBVKCO-ZKCHVHJHSA-N

LogP

1.9009

Topological Polar Surface Area

29.43 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

141

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

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

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

1-Isocyanato-4-methylcyclohexane, cis-
EN300-322309
32175-00-1
DTXSID201249152
38258-74-1
AKOS010079089
J-018668
SY003166
1-Isocyanato-4-methylcyclohexane, trans-
(1r,4r)-1-isocyanato-4-methylcyclohexane
4-methyl cyclohexyl isocyanate
AS-10953
32175-01-2
1-Isocyanato-4-methyl-cyclohexane;trans-4-Methylcyclohexylisocyanate
cis-4-Methylcyclohexylisocyanate
3P79HS8WQB
UZ65NY8J3J
1-isocyanato-4-methyl-cyclohexane
SCHEMBL13243289
J-525024
A824085
4-Methylcyclohexyl isocyanate
trans-4-Methyl-cyclohexyl isocyanate
(1s,4s)-1-isocyanato-4-methylcyclohexane (Glimepiride Impurity)
CS-0165185
Isocyanic acid, 4-methylcyclohexyl ester, trans-
trans-4-methyl cyclohexyl isocyanate
trans-1-Isocyanato-4-methylcyclohexane
AKOS006294831
Isocyanic acid, 4-methylcyclohexyl ester, cis-
trans-4-methylcyclohexyl isocyanate

MDL Number

MFCD06411231

FAQ

What is trans-1-Isocyanato-4-methylcyclohexane (CAS: 32175-00-1)?

Trans-1-Isocyanato-4-methylcyclohexane is an organic compound with the chemical formula C9H16NO. It is a cyclic secondary amine derivative characterized by a cyclohexane ring with a methyl group and an isocyanato group in the trans configuration. This compound is known for its reactivity and is commonly used in chemical synthesis due to its functional group versatility.

What are the main uses of trans-1-Isocyanato-4-methylcyclohexane (CAS: 32175-00-1)?

Trans-1-Isocyanato-4-methylcyclohexane is primarily used in the synthesis of pharmaceuticals and specialty chemicals. It serves as an intermediate in the production of various isocyanates, which are key components in polyurethane manufacturing. Additionally, it is utilized in research for developing new materials and compounds with specific functional properties.

Is trans-1-Isocyanato-4-methylcyclohexane (CAS: 32175-00-1) safe?

Trans-1-Isocyanato-4-methylcyclohexane should be handled with appropriate precautions due to its potential toxicity. It is considered a hazardous substance, and inhalation or skin contact may cause irritation. Safety standards recommend using protective gloves, goggles, and ventilation when working with this compound. Always follow proper safety protocols to minimize exposure.

How should trans-1-Isocyanato-4-methylcyclohexane (CAS: 32175-00-1) be stored?

Trans-1-Isocyanato-4-methylcyclohexane should be stored in a cool, dry, and well-ventilated area, away from direct sunlight. It is best kept in a sealed, airtight container made of materials compatible with organic solvents. Storage at temperatures below 25°C and maintaining low humidity levels are recommended to ensure stability and prevent degradation.