2,6,6-Trimethylcyclohexa-1,3-dien-1-ylcarbonitrile

Modify Date: 2025-08-25 20:51:44

2,6,6-Trimethylcyclohexa-1,3-dien-1-ylcarbonitrile Structure
2,6,6-Trimethylcyclohexa-1,3-dien-1-ylcarbonitrile structure
Common Name 2,6,6-Trimethylcyclohexa-1,3-dien-1-ylcarbonitrile
CAS Number 72152-84-2 Molecular Weight 147.21700
Density 0.94g/cm3 Boiling Point 227.4ºC at 760 mmHg
Molecular Formula C10H13N Melting Point N/A
MSDS N/A Flash Point 91.2ºC

 Names

Name 2,6,6-trimethylcyclohexa-1,3-diene-1-carbonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.94g/cm3
Boiling Point 227.4ºC at 760 mmHg
Molecular Formula C10H13N
Molecular Weight 147.21700
Flash Point 91.2ºC
Exact Mass 147.10500
PSA 23.79000
LogP 2.81258
Index of Refraction 1.497
InChIKey MDBKXUUTSLSJDH-UHFFFAOYSA-N
SMILES CC1=C(C#N)C(C)(C)CC=C1

 Synthetic Route

 Synonyms

Safronitrile
2,6,6-Trimethylcyclohexa-1,3-dien-1-ylcarbonitrile
2,6,6-Trimethyl-cyclohexa-1,3-diencarbonitril
2,6,6-trimethylcyclohexa-1,3-dienecarbonitrile
Safransaeurenitril
2,6,6-Trimethyl-1,3-cyclohexadiene-1-carbonitrile
2,4-DITHIOURIDINE
1-Cyano-2,6,6-trimethyl-1,3-cyclohexadiene
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