1-cyclohexenylacetonitrile
1-cyclohexenylacetonitrile structure
|
Common Name | 1-cyclohexenylacetonitrile | ||
|---|---|---|---|---|
| CAS Number | 6975-71-9 | Molecular Weight | 121.180 | |
| Density | 0.9±0.1 g/cm3 | Boiling Point | 215.6±0.0 °C at 760 mmHg | |
| Molecular Formula | C8H11N | Melting Point | N/A | |
| MSDS | Chinese USA | Flash Point | 83.9±0.0 °C | |
| Symbol |
GHS07 |
Signal Word | Warning | |
Summary: 2-(Cyclohex-1-en-1-yl)acetonitrile, Chinese name: 1-环己烯乙腈, CAS number: 6975-71-9, molecular formula: C8H11N, molecular weight: 121.180, appears as a transparent yellow to orange liquid. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-(Cyclohex-1-en-1-yl)acetonitrile |
|---|---|
| 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 | 215.6±0.0 °C at 760 mmHg |
| Molecular Formula | C8H11N |
| Molecular Weight | 121.180 |
| Flash Point | 83.9±0.0 °C |
| Exact Mass | 121.089149 |
| PSA | 23.79000 |
| LogP | 2.03 |
| Vapour Pressure | 0.1±0.4 mmHg at 25°C |
| Index of Refraction | 1.479 |
| InChIKey | OYEXEQFKIPJKJK-UHFFFAOYSA-N |
| SMILES | N#CCC1=CCCCC1 |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H302-H312-H315-H319-H332-H335 |
| Precautionary Statements | P261-P280-P305 + P351 + P338 |
| Personal Protective Equipment | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard Codes | Xn: Harmful; |
| Risk Phrases | R20/21/22 |
| Safety Phrases | S26-S27-S36/37/39-S36/37 |
| RIDADR | 3276 |
| WGK Germany | 3 |
| Packaging Group | I; II; III |
| Hazard Class | 6.1 |
| HS Code | 2926909090 |
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 10 | |
|---|---|
| DownStream 9 | |
CAS#:3399-73-3
CAS#:108-94-1
CAS#:372-09-8
CAS#:6802-76-2
CAS#:4435-18-1
CAS#:42185-27-3
CAS#:37107-50-9
CAS#:112005-21-7
CAS#:90242-33-4
CAS#:1885-22-9
CAS#:4442-85-7
CAS#:4435-14-7
CAS#:1192-88-7
CAS#:18294-87-6
CAS#:103-78-6
CAS#:3197-68-0
CAS#:169555-83-3This 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 contains target information, in‑vitro & in‑vivo assay data for this compound.
|
Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
|
|
Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 1-Cyclohexen-1-ylacetonitrile |
| l6utj a1cn |
| 1-Cyclohexene-1-acetonitrile |
| Cyclohexenylacetonitrile |
| EINECS 230-235-6 |
| MFCD00001566 |
| Cyclohex-1-en-1-ylacetonitrile |
| 1-Cyclohexenylacetonitrile |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular weight of 2-(Cyclohex-1-en-1-yl)acetonitrile? |
| A: Molecular weight of 2-(Cyclohex-1-en-1-yl)acetonitrile is 121.180. |
| Q: What is the LogP of 2-(Cyclohex-1-en-1-yl)acetonitrile? |
| A: LogP of 2-(Cyclohex-1-en-1-yl)acetonitrile is 2.03. |
| Q: What are the downstream products of 2-(Cyclohex-1-en-1-yl)acetonitrile? |
| A: Related downstream products(CAS) of 2-(Cyclohex-1-en-1-yl)acetonitrile: 4442-85-7;3399-73-3;4435-18-1;4435-14-7;1192-88-7;18294-87-6;103-78-6;3197-68-0;169555-83-3. |
| Q: What is the boiling point of 2-(Cyclohex-1-en-1-yl)acetonitrile? |
| A: Boiling point of 2-(Cyclohex-1-en-1-yl)acetonitrile is 215.6±0.0 °C at 760 mmHg. |
| Q: What is the SMILES notation of 2-(Cyclohex-1-en-1-yl)acetonitrile? |
| A: SMILES notation of 2-(Cyclohex-1-en-1-yl)acetonitrile is N#CCC1=CCCCC1. |
| Q: What is the English name of 2-(Cyclohex-1-en-1-yl)acetonitrile? |
| A: The English name of 2-(Cyclohex-1-en-1-yl)acetonitrile is 2-(Cyclohex-1-en-1-yl)acetonitrile. |
| Q: What are the upstream materials of 2-(Cyclohex-1-en-1-yl)acetonitrile? |
| A: Related upstream materials(CAS) of 2-(Cyclohex-1-en-1-yl)acetonitrile: 3399-73-3;108-94-1;372-09-8;6802-76-2;4435-18-1;42185-27-3;37107-50-9;112005-21-7;90242-33-4;1885-22-9. |
| Q: What is the polar surface area (PSA) of 2-(Cyclohex-1-en-1-yl)acetonitrile? |
| A: Polar surface area (PSA) of 2-(Cyclohex-1-en-1-yl)acetonitrile is 23.79000. |
| Q: What English synonyms does 2-(Cyclohex-1-en-1-yl)acetonitrile have? |
| A: English synonyms of 2-(Cyclohex-1-en-1-yl)acetonitrile: 1-Cyclohexen-1-ylacetonitrile, l6utj a1cn, 1-Cyclohexene-1-acetonitrile, Cyclohexenylacetonitrile, EINECS 230-235-6, MFCD00001566, Cyclohex-1-en-1-ylacetonitrile, 1-Cyclohexenylacetonitrile. |
| Q: What is the CAS number of 2-(Cyclohex-1-en-1-yl)acetonitrile? |
| A: CAS number of 2-(Cyclohex-1-en-1-yl)acetonitrile is 6975-71-9. |
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. |