4-Cyanocyclohexene
4-Cyanocyclohexene structure
|
Common Name | 4-Cyanocyclohexene | ||
|---|---|---|---|---|
| CAS Number | 100-45-8 | Molecular Weight | 107.153 | |
| Density | 0.9±0.1 g/cm3 | Boiling Point | 200.9±29.0 °C at 760 mmHg | |
| Molecular Formula | C7H9N | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 65.8±17.1 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 4-Cyano-1-cyclohexene |
|---|---|
| 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 | 0.9±0.1 g/cm3 |
|---|---|
| Boiling Point | 200.9±29.0 °C at 760 mmHg |
| Molecular Formula | C7H9N |
| Molecular Weight | 107.153 |
| Flash Point | 65.8±17.1 °C |
| Exact Mass | 107.073502 |
| PSA | 23.79000 |
| LogP | 1.30 |
| Vapour Pressure | 0.3±0.4 mmHg at 25°C |
| Index of Refraction | 1.481 |
| InChIKey | GYBNBQFUPDFFQX-UHFFFAOYSA-N |
| SMILES | N#CC1CC=CCC1 |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi |
|---|---|
| Risk Phrases | 20/21/22-36/37/38 |
| Safety Phrases | S26-S36/37/39 |
| RIDADR | 3276 |
| RTECS | GW2625000 |
| HS Code | 2926909090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~96%
4-Cyanocyclohexene CAS#:100-45-8 |
| Literature: Sridhar, Madabhushi; Reddy, Mallu Kishore Kumar; Sairam, Vangipuram Venkata; Raveendra, Jillella; Godala, Kondal Reddy; Narsaiah, Chinthala; Ramanaiah, Beeram China; Reddy, Cirandur Suresh Tetrahedron Letters, 2012 , vol. 53, # 27 p. 3421 - 3424 |
|
~98%
4-Cyanocyclohexene CAS#:100-45-8 |
| Literature: Sridhar, Madabhushi; Reddy, Mallu Kishore Kumar; Sairam, Vangipuram Venkata; Raveendra, Jillella; Godala, Kondal Reddy; Narsaiah, Chinthala; Ramanaiah, Beeram China; Reddy, Cirandur Suresh Tetrahedron Letters, 2012 , vol. 53, # 27 p. 3421 - 3424 |
|
~87%
4-Cyanocyclohexene CAS#:100-45-8 |
| Literature: Korzenski, Michael B.; Kolis, Joseph W. Tetrahedron Letters, 1997 , vol. 38, # 32 p. 5611 - 5614 |
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~%
4-Cyanocyclohexene CAS#:100-45-8
Detail
Learn More
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| Literature: Journal of the American Chemical Society, , vol. 75, p. 5389,5390 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 4 | |
|---|---|
| DownStream 9 | |
CAS#:4771-80-6
CAS#:34916-10-4
CAS#:17983-30-1![7-Oxabicyclo[4.1.0]heptane-3-carbonitrile structure](https://image.chemsrc.com/caspic/200/141-40-2.png)
CAS#:141-40-2
CAS#:923-42-2
CAS#:32366-41-9
CAS#:111-16-0
CAS#:18240-10-3
CAS#:7353-76-6This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2926909090 |
|---|---|
| Summary | HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 4-CYANO-1-CYCLOHEXENE |
| 1,2,3,6-Tetrahydrobenzonitrile |
| 4-Cyanocyclohexene |
| Cyclohex-3-ene-1-carbonitrile |
| MFCD00013778 |
| 3-Cyclohexene-1-carbonitrile |
| 3-Cyclohexenecarbonitrile |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What are the downstream products of 4-Cyano-1-cyclohexene? |
| A: Related downstream products(CAS) of 4-Cyano-1-cyclohexene: 4771-80-6;34916-10-4;17983-30-1;141-40-2;923-42-2;32366-41-9;111-16-0;18240-10-3;7353-76-6. |
| Q: What is the safety information for 4-Cyano-1-cyclohexene? |
| A: Safety information for 4-Cyano-1-cyclohexene: S26-S36/37/39. |
| Q: What is the molecular formula of 4-Cyano-1-cyclohexene? |
| A: Molecular formula of 4-Cyano-1-cyclohexene is C7H9N. |
| Q: What is the English name of 4-Cyano-1-cyclohexene? |
| A: The English name of 4-Cyano-1-cyclohexene is 4-Cyano-1-cyclohexene. |
| Q: What is the CAS number of 4-Cyano-1-cyclohexene? |
| A: CAS number of 4-Cyano-1-cyclohexene is 100-45-8. |
| Q: What is the boiling point of 4-Cyano-1-cyclohexene? |
| A: Boiling point of 4-Cyano-1-cyclohexene is 200.9±29.0 °C at 760 mmHg. |
| Q: What is the InChIKey of 4-Cyano-1-cyclohexene? |
| A: InChIKey of 4-Cyano-1-cyclohexene is GYBNBQFUPDFFQX-UHFFFAOYSA-N. |
| Q: What is the SMILES notation of 4-Cyano-1-cyclohexene? |
| A: SMILES notation of 4-Cyano-1-cyclohexene is N#CC1CC=CCC1. |
| Q: What is the polar surface area (PSA) of 4-Cyano-1-cyclohexene? |
| A: Polar surface area (PSA) of 4-Cyano-1-cyclohexene is 23.79000. |
| Q: What are the upstream materials of 4-Cyano-1-cyclohexene? |
| A: Related upstream materials(CAS) of 4-Cyano-1-cyclohexene: 100-50-5;57606-87-8;106-99-0;107-13-1. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |