2,6,6-Trimethylcyclohexa-1,3-dien-1-ylcarbonitrile
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 | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2,6,6-trimethylcyclohexa-1,3-diene-1-carbonitrile |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| 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 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 7 | |
|---|---|
| DownStream 2 | |
CAS#:57524-14-8
CAS#:57524-13-7![1,3,3-TriMethyl-7-oxabicyclo[4.1.0]heptane-2-carbonitrile Structure](https://image.chemsrc.com/caspic/431/264279-20-1.png)
CAS#:264279-20-1![(1S,5S) 4,4-Dimethyl-1-(1-methylethyl)-bicyclo[3.1.0]hexan-3-one Structure](https://image.chemsrc.com/caspic/404/78887-20-4.png)
CAS#:78887-20-4
CAS#:2408-37-9
CAS#:103324-66-9
CAS#:56830-39-8
CAS#:23726-93-4
CAS#:116-26-7This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 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 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the boiling point of 2,6,6-trimethylcyclohexa-1,3-diene-1-carbonitrile? |
| A: Boiling point of 2,6,6-trimethylcyclohexa-1,3-diene-1-carbonitrile is 227.4ºC at 760 mmHg. |
| Q: What is the InChIKey of 2,6,6-trimethylcyclohexa-1,3-diene-1-carbonitrile? |
| A: InChIKey of 2,6,6-trimethylcyclohexa-1,3-diene-1-carbonitrile is MDBKXUUTSLSJDH-UHFFFAOYSA-N. |
| Q: What is the LogP of 2,6,6-trimethylcyclohexa-1,3-diene-1-carbonitrile? |
| A: LogP of 2,6,6-trimethylcyclohexa-1,3-diene-1-carbonitrile is 2.81258. |
| Q: What are the downstream products of 2,6,6-trimethylcyclohexa-1,3-diene-1-carbonitrile? |
| A: Related downstream products(CAS) of 2,6,6-trimethylcyclohexa-1,3-diene-1-carbonitrile: 23726-93-4;116-26-7. |
| Q: What are the upstream materials of 2,6,6-trimethylcyclohexa-1,3-diene-1-carbonitrile? |
| A: Related upstream materials(CAS) of 2,6,6-trimethylcyclohexa-1,3-diene-1-carbonitrile: 57524-14-8;57524-13-7;264279-20-1;78887-20-4;2408-37-9;103324-66-9;56830-39-8. |
| Q: What English synonyms does 2,6,6-trimethylcyclohexa-1,3-diene-1-carbonitrile have? |
| A: English synonyms of 2,6,6-trimethylcyclohexa-1,3-diene-1-carbonitrile: 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. |
| Q: What is the molecular formula of 2,6,6-trimethylcyclohexa-1,3-diene-1-carbonitrile? |
| A: Molecular formula of 2,6,6-trimethylcyclohexa-1,3-diene-1-carbonitrile is C10H13N. |
| Q: What is the English name of 2,6,6-trimethylcyclohexa-1,3-diene-1-carbonitrile? |
| A: The English name of 2,6,6-trimethylcyclohexa-1,3-diene-1-carbonitrile is 2,6,6-trimethylcyclohexa-1,3-diene-1-carbonitrile. |
| Q: What is the SMILES notation of 2,6,6-trimethylcyclohexa-1,3-diene-1-carbonitrile? |
| A: SMILES notation of 2,6,6-trimethylcyclohexa-1,3-diene-1-carbonitrile is CC1=C(C#N)C(C)(C)CC=C1. |
| Q: What is the Chinese name of 72152-84-2? |
| A: Chinese name of 72152-84-2 is 72152-84-2. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |