Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
벤조퓨라잔 1-옥사이드
벤조퓨라잔1-옥사이드 · 벤조푸록산 · benzo[c][1,2,5]oxadiazole 1-oxide · BENZOFUROXANE · 3-oxido-2,1,3-benzoxadiazol-3-ium · KIH-403 · AKOS 93854 · enzofurxan
식별자 및 물리적 특성
| CAS No. | 480-96-6 |
|---|---|
| 분자식 | C6H4N2O2 |
| 평균 분자량 | 136.11 g/mol |
| 단동위원소 질량 | 136.02727738 g/mol |
| SMILES | [O-][n+]1onc2ccccc21 |
| InChIKey | OKEAMBAZBICIFP-UHFFFAOYSA-N |
| PubChem CID | 68075 |
| ChEMBL | CHEMBL2413971 |
| EC No. | 207-559-1 |
| DTXSID | DTXSID5060063 |
| 현지명 | 벤조퓨라잔 1-옥사이드 |
화학 및 물리적 성질
| XLogP | 1.4 |
|---|---|
| 극성 표면적 | 51.5 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 10 |
| 형식 전하 | 0 |
| 복잡도 | 131 |
| 녹는점 | 66-69 °C |
| 끓는 점 | 250.35°C (rough estimate) |
| 밀도 | 1.4175 (rough estimate) |
| 증기압 | 5.8Pa at 25℃ |
| 굴절률 | 1.4738 (estimate) |
| 저장 조건 | Sealed in dry,2-8°C |
| 용해도 | 아세톤(약간 용해됨), 클로로포름(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨) |
| 물리적 상태 | 고체 |
| pKa(산도 계수) | 4.58±0.46(Predicted) |
| 색상 | 노란색 |
| 용해도 | 메탄올에 용해됩니다. 물에 불용성. |
| BRN | 125112 |
| LogP(분배 계수) | 1.43 |
| NIST | Benzofurazan, 1-oxide(480-96-6) |
| EPA | 2,1,3-Benzoxadiazole, 1-oxide (480-96-6) |
화학적 성질
mustard colored powder
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 8.5% (4 of 47) of reports.WarningH315 (91.5%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (91.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (87.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 4 of 47 reports by companies.There are 6 notifications provided by 43 of 47 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| 규제 정보 | Status: Active Update: 10-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/22876 |
| Hazard Classes and Categories | Skin Irrit. 2 (91.5%)Eye Irrit. 2 (91.5%)STOT SE 3 (87.2%) |
| TSCA 등재 상태 | TSCA listed |
| 관세 코드 | 29322090 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 24/25-36-26 |
| 기존화학 물질 | KE-02694 |
용도
용도
Benzofuroxan is used as an oxidant for the preparation of 2-arylsubstituted benzimidazoles, quinoxalines and 1,4-bis(alkylamino)-9,10-anthracenediones. It is also sued in the synthesis of 1,2-dinitrosobenzene.