Bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile
![Bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile Structure](https://image.chemsrc.com/caspic/159/6809-91-2.png)
Bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile structure
|
Common Name | Bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile | ||
|---|---|---|---|---|
| CAS Number | 6809-91-2 | Molecular Weight | 129.159 | |
| Density | 1.1±0.1 g/cm3 | Boiling Point | 259.5±0.0 °C at 760 mmHg | |
| Molecular Formula | C9H7N | Melting Point | N/A | |
| MSDS | Chinese USA | Flash Point | 101.7±17.1 °C | |
| Symbol |
GHS07 |
Signal Word | Warning | |
Summary: 1-Cyano-bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile (CAS: 6809-91-2), molecular formula C9H7N, molecular weight 129.159, is a colorless liquid with a boiling point of 259.5±0.0 °C and density 1.1±0.1 g/cm3. 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 | bicyclo[4.2.0]octa-1,3,5-triene-7-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 | 1.1±0.1 g/cm3 |
|---|---|
| Boiling Point | 259.5±0.0 °C at 760 mmHg |
| Molecular Formula | C9H7N |
| Molecular Weight | 129.159 |
| Flash Point | 101.7±17.1 °C |
| Exact Mass | 129.057846 |
| PSA | 23.79000 |
| LogP | 1.37 |
| Vapour Pressure | 0.0±0.5 mmHg at 25°C |
| Index of Refraction | 1.588 |
| InChIKey | FJIDKRPZJBUHME-UHFFFAOYSA-N |
| SMILES | N#CC1Cc2ccccc21 |
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;R36/37/38 |
| Safety Phrases | 26-37/39 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| HS Code | 3902200000 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 9 | |
|---|---|
| DownStream 10 | |
CAS#:103447-24-1
CAS#:7315-17-5
CAS#:84452-02-8
CAS#:143-33-9
CAS#:84452-03-9
CAS#:40061-54-9
CAS#:19819-95-5
CAS#:1005-06-7![BICYCLO[4.2.0]OCTA-1,3,5,7-TETRAEN-7-OL Structure](https://image.chemsrc.com/caspic/232/35447-99-5.png)
CAS#:35447-99-5![Bicyclo[4.2.0]octa-1,3,5-trien-7-yl(methyl) ketone structure](https://image.chemsrc.com/caspic/457/1075-30-5.png)
CAS#:1075-30-5![1-Bicyclo[4.2.0]octa-1,3,5-trien-7-ylmethanamine structure](https://image.chemsrc.com/caspic/346/1005-19-2.png)
CAS#:1005-19-2
CAS#:35095-07-9
CAS#:15100-35-3![Bicyclo[4.2.0]octa-1,3,5-trien-7-yl(methyl) ketone O-butyl oxime structure](https://image.chemsrc.com/caspic/424/7315-27-7.png)
CAS#:7315-27-7![1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)pentan-1-one structure](https://image.chemsrc.com/caspic/083/6809-93-4.png)
CAS#:6809-93-4![1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-phenylethanone structure](https://image.chemsrc.com/caspic/007/6809-95-6.png)
CAS#:6809-95-6![Bicyclo[4.2.0]octa-1,3,5-trien-7-yl(methyl) ketone O-methyl oxime structure](https://image.chemsrc.com/caspic/440/6813-91-8.png)
CAS#:6813-91-8![Bicyclo[4.2.0]octa-1,3,5-triene-7-carbaldehyde structure](https://image.chemsrc.com/caspic/399/78926-35-9.png)
CAS#:78926-35-9![bicyclo[4.2.0]octa-1,3,5-trien-7-amine structure](https://image.chemsrc.com/caspic/090/61599-85-7.png)
CAS#:61599-85-7This 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 lists relevant public references with title, journal and publication metadata for this compound.
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o-Quinodimethanes: Efficient Intermediates in Organic Synthesis.
Chem. Rev. 99(11) , 3199-246, (1999)
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Enantiomer resolution screening strategy using multiple immobilised polysaccharide-based chiral stationary phases.
J. Chromatogr. A. 1191(1-2) , 214-22, (2008) CHIRALPAK IA, CHIRALPAK IB and CHIRALPAK IC are a new generation of chiral packing materials for resolution of enantiomers by chromatography. They are all prepared by chemical immobilisation of the re... |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 1-cyanobenzocyclobutene |
| 1,2-Dihydro-cyclobutabenzen-1-carbonitril |
| MFCD00001350 |
| Bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile |
| 1,2-dihydro-cyclobutabenzene-1-carbonitrile |
| 1-Benzocyclobutenecarbonitrile |
| benzocyclobutene-1-carbonitrile |
| 7-cyano bicyclo[4.2.0]1,3,5-octatriene |
| bicyclo[4.2.0]octa-1(6),2,4-triene-7-carbonitrile |
| 1-CYANOBENZOCYCLOBUTANE |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the English name of bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile? |
| A: The English name of bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile is bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile. |
| Q: What is the InChIKey of bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile? |
| A: InChIKey of bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile is FJIDKRPZJBUHME-UHFFFAOYSA-N. |
| Q: What is the molecular weight of bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile? |
| A: Molecular weight of bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile is 129.159. |
| Q: What is the SMILES notation of bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile? |
| A: SMILES notation of bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile is N#CC1Cc2ccccc21. |
| Q: What is the polar surface area (PSA) of bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile? |
| A: Polar surface area (PSA) of bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile is 23.79000. |
| Q: What is the molecular formula of bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile? |
| A: Molecular formula of bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile is C9H7N. |
| Q: What are the upstream materials of bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile? |
| A: Related upstream materials(CAS) of bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile: 103447-24-1;7315-17-5;84452-02-8;143-33-9;84452-03-9;40061-54-9;19819-95-5;1005-06-7;35447-99-5. |
| Q: What are the downstream products of bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile? |
| A: Related downstream products(CAS) of bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile: 1075-30-5;1005-19-2;35095-07-9;15100-35-3;7315-27-7;6809-93-4;6809-95-6;6813-91-8;78926-35-9;61599-85-7. |
| Q: What English synonyms does bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile have? |
| A: English synonyms of bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile: 1-cyanobenzocyclobutene, 1,2-Dihydro-cyclobutabenzen-1-carbonitril, MFCD00001350, Bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile, 1,2-dihydro-cyclobutabenzene-1-carbonitrile, 1-Benzocyclobutenecarbonitrile, benzocyclobutene-1-carbonitrile, 7-cyano bicyclo[4.2.0]1,3,5-octatriene, bicyclo[4.2.0]octa-1(6),2,4-triene-7-carbonitrile, 1-CYANOBENZOCYCLOBUTANE. |
| Q: What is the boiling point of bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile? |
| A: Boiling point of bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile is 259.5±0.0 °C at 760 mmHg. |
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. |