Cas no 694-87-1 (Benzocyclobutene)
Benzocyclobutene Chemical and Physical Properties
Names and Identifiers
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- Bicyclo[4.2.0]octa-1,3,5-triene
- 1,2-Dihydrobenzocyclobutene
- Benzocyclobutane
- Benzocyclobutene, 1,2-dihydro-
- Cardene
- BENZOCYCLOBUTENE
- BICYCLO[4.2.0]OCTA-1,3,5-TRIEN
- Bicyclo[4.2.0]octa-1(6),2,4-triene
- BMIMBF4
- Bicyclo(4.2.0)octa-1,3,5-triene
- UMIVXZPTRXBADB-UHFFFAOYSA-N
- AK109544
- PubChem18889
- Benzocyclobutene, 98%
- 1,2-dihydrocyclobutabenzene
- STL452965
- FCH1115182
- SY052978
- M026
- AX8034649
- ST2412678
- AB0
- 694-87-1
- InChI=1/C8H8/c1-2-4-8-6-5-7(8)3-1/h1-4H,5-6H
- Q420972
- UNII-MF7U8F3YLB
- FT-0657962
- EN300-104400
- MFCD01321219
- F15000
- CS-W016636
- CHEBI:87328
- AKOS004907664
- DTXSID3073927
- MF7U8F3YLB
- DS-4372
- AM20041021
- B3863
- C8H8
- cyclobutabenzene
- BICYCLO(4.2.0)OCTA-2,4,6-TRIENE
- Bicyclo(4.2.0)octa1,3,5,7tetraene
- DTXCID70115736
- DTXCID1046502
- FB57841
- Benzocyclobutene
-
- MDL: MFCD01321219
- Inchi: 1S/C8H8/c1-2-4-8-6-5-7(8)3-1/h1-4H,5-6H2
- InChI Key: UMIVXZPTRXBADB-UHFFFAOYSA-N
- SMILES: C1C2C=CC=CC=2C1
Computed Properties
- Exact Mass: 104.06300
- Monoisotopic Mass: 104.063
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 8
- Rotatable Bond Count: 0
- Complexity: 74
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 1.8
- Topological Polar Surface Area: 0
Experimental Properties
- Color/Form: Not determined
- Density: 0.957?g/mL?at 25?°C(lit.)
- Boiling Point: 150°C(lit.)
- Flash Point: Fahrenheit: 96.8 ° f < br / > Celsius: 36 ° C < br / >
- Refractive Index: n20/D 1.541(lit.)
- PSA: 0.00000
- LogP: 1.78520
- Solubility: Not determined
Benzocyclobutene Security Information
-
Symbol:
- Prompt:dangerous
- Signal Word:Warning
- Hazard Statement: H226
- Warning Statement: P210-P233-P240-P241+P242+P243-P280-P301+P310+P331-P303+P361+P353-P370+P378-P403+P235-P405-P501
- Hazardous Material transportation number:UN 3295 3/PG 3
- WGK Germany:3
- Hazard Category Code: 10
- Safety Instruction: S16
- HazardClass:3
- PackingGroup:III
- Storage Condition:Store long-term at 2-8°C
- Safety Term:S16
- Risk Phrases:R10
Benzocyclobutene Customs Data
- HS CODE:3902200000
- Customs Data:
China Customs Code:
2902199090Overview:
2902199090 Other naphthenic hydrocarbons\Cyclic olefins and cyclic terpenes.Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.MFN tariff:2.0%.general tariff:30.0%
Declaration elements:
Product Name, component content
Summary:
2902199090 other cyclanes, cyclenes and cyclotherpenes.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:2.0%.General tariff:30.0%
Benzocyclobutene Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | B107638-1g |
Benzocyclobutene |
694-87-1 | 98% | 1g |
¥99.90 | 2023-09-04 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | B107638-250mg |
Benzocyclobutene |
694-87-1 | 98% | 250mg |
¥49.90 | 2023-09-04 | |
| Chemenu | CM202626-5g |
Bicyclo[4.2.0]octa-1,3,5-triene |
694-87-1 | 95% | 5g |
$172 | 2021-08-04 | |
| Chemenu | CM202626-10g |
Bicyclo[4.2.0]octa-1,3,5-triene |
694-87-1 | 95% | 10g |
$237 | 2021-08-04 | |
| Chemenu | CM202626-25g |
Bicyclo[4.2.0]octa-1,3,5-triene |
694-87-1 | 95% | 25g |
$468 | 2021-08-04 | |
| TRC | B198290-500mg |
Benzocyclobutene |
694-87-1 | 500mg |
$ 253.00 | 2023-04-19 | ||
| TRC | B198290-1g |
Benzocyclobutene |
694-87-1 | 1g |
$ 260.00 | 2022-06-07 | ||
| TRC | B198290-5g |
Benzocyclobutene |
694-87-1 | 5g |
$ 620.00 | 2023-04-19 | ||
| TRC | B198290-25g |
Benzocyclobutene |
694-87-1 | 25g |
$ 1849.00 | 2023-04-19 | ||
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R027886-1g |
Benzocyclobutene |
694-87-1 | 97% | 1g |
¥78 | 2024-05-22 |
Benzocyclobutene Suppliers
Benzocyclobutene Related Literature
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1. Photoinduced molecular transformations. Part 135. New synthesis of taiwanin C and justicidin E based on a radical cascade process involving β-scission of alkoxyl radicals generated from 3- and 8-aryl-1-ethyl-1,2-dihydrocyclobuta[b]naphthalen-1-ols prepared by thermolysis of (Z)-tert-butyl 3-amino-3-(bicyclo[4.2.0]octa-1,3,5-trien-7-yl)propenoatesKazuhiro Kobayashi,Yoshikazu Kanno,Shinzo Seko,Hiroshi Suginome J. Chem. Soc. Perkin Trans. 1 1992 3111
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2. Flash vacuum pyrolysis over magnesium. Part 1. Pyrolysis of benzylic, other aryl/alkyl and aliphatic halidesR. Alan Aitken,Philip K. G. Hodgson,John J. Morrison,Adebayo O. Oyewale J. Chem. Soc. Perkin Trans. 1 2002 402
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3. Flash vacuum pyrolysis over magnesium. Part 1. Pyrolysis of benzylic, other aryl/alkyl and aliphatic halidesR. Alan Aitken,Philip K. G. Hodgson,John J. Morrison,Adebayo O. Oyewale J. Chem. Soc. Perkin Trans. 1 2002 402
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Yuanqiang Wang,Jing Sun,Kaikai Jin,Jiajia Wang,Chao Yuan,Jiawei Tong,Shen Diao,Fengkai He,Qiang Fang RSC Adv. 2014 4 39884
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Fengkai He,Chao Yuan,Kai Li,Shen Diao,Kaikai Jin,Jiajia Wang,Jiawei Tong,Juan Ma,Qiang Fang RSC Adv. 2013 3 23128
Additional information on Benzocyclobutene
Benzocyclobutene (CAS No. 694-87-1): A Comprehensive Overview of Its Applications and Recent Research Findings
Benzocyclobutene, with the chemical formula C8H8, is a significant heterocyclic compound characterized by a fused benzene ring and a cyclobutene moiety. Its unique structural framework makes it a valuable intermediate in organic synthesis, pharmaceutical development, and material science. The compound is identified by the CAS number 694-87-1, which distinguishes it in the chemical literature and industrial applications. This article provides an in-depth exploration of Benzocyclobutene, focusing on its chemical properties, synthetic pathways, industrial uses, and the latest research advancements.
The molecular structure of Benzocyclobutene consists of a benzene ring connected to a cyclobutene ring, creating a rigid framework with inherent electronic and steric properties. This configuration allows for diverse chemical reactions, making it a versatile building block in synthetic chemistry. The compound exists primarily as a stable solid at room temperature, with a melting point around 50-55°C and a moderate solubility in organic solvents such as ethanol, acetone, and dichloromethane. These physical properties make it suitable for various applications in both laboratory and industrial settings.
The synthesis of Benzocyclobutene has been extensively studied due to its importance in pharmaceuticals and materials science. One of the most common methods involves the Diels-Alder reaction between cyclohexadiene derivatives and benzene derivatives. This reaction proceeds under mild conditions and yields high selectivity, making it an attractive route for industrial production. Additionally, photochemical reactions have been explored as an alternative synthetic pathway, particularly for producing enantiomerically pure forms of Benzocyclobutene for pharmaceutical applications.
In recent years, research on Benzocyclobutene has focused on its role as a precursor in the development of novel pharmaceuticals. The fused ring system provides a scaffold that can be modified to create bioactive molecules with specific therapeutic properties. For instance, derivatives of Benzocyclobutene have been investigated for their potential as anti-inflammatory agents, analgesics, and even antitumor compounds. The structural flexibility of this compound allows chemists to introduce various functional groups, enabling the design of molecules with tailored biological activities.
The material science applications of Benzocyclobutene are equally fascinating. Its aromaticity and rigidity make it a suitable candidate for polymer additives that enhance thermal stability and mechanical strength. Additionally, researchers have explored its use in organic electronics, where its electron-deficient nature contributes to the performance of light-emitting diodes (LEDs) and photovoltaic cells. The latest studies suggest that incorporating Benzocyclobutene into conjugated polymers can improve charge transport properties, leading to more efficient optoelectronic devices.
The environmental impact of using Benzocyclobutene has also been a subject of interest. While it is not classified as an environmental hazard, its persistence in certain ecosystems raises concerns about long-term exposure effects. Recent research has focused on developing biodegradable derivatives of Benzocyclobutene that can minimize environmental impact without compromising their utility in industrial applications. These efforts align with the growing trend toward sustainable chemistry practices.
In conclusion, Benzocyclobutene (CAS No. 694-87-1) is a multifaceted compound with significant implications in pharmaceuticals and materials science. Its unique structural features enable diverse applications, from drug development to advanced materials. The latest research highlights its potential as a key intermediate in synthesizing bioactive molecules and improving the performance of electronic devices. As scientific understanding continues to evolve, the applications of Benzocyclobutene are expected to expand further, driving innovation across multiple industries.
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