Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
벤조(C)페난트렌
벤조(C)페난트렌 · Tetrahelicene · 3,4-Benzphenanthrene · Benzo(c)phenanthrene · 3,4-Benzophenanthrene · Zavegepant Impurity 6 · Benzo-3,4-phenanthrene · 3,4-Benzo[c]phenthrene
식별자 및 물리적 특성
| CAS No. | 195-19-7 |
|---|---|
| 분자식 | C18H12 |
| 평균 분자량 | 228.3 g/mol |
| 단동위원소 질량 | 228.09390038 g/mol |
| SMILES | c1ccc2c(c1)ccc1ccc3ccccc3c12 |
| InChIKey | TUAHORSUHVUKBD-UHFFFAOYSA-N |
| PubChem CID | 9136 |
| ChEBI | CHEBI:82292 |
| EC No. | 205-896-9 |
| DTXSID | DTXSID4075459 |
| 현지명 | 벤조(C)페난트렌 |
화학 및 물리적 성질
| XLogP | 5.7 |
|---|---|
| 극성 표면적 | 0 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 0 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 18 |
| 형식 전하 | 0 |
| 복잡도 | 266 |
| Polymers | Other Classes -> Polycyclic Aromatic Hydrocarbons |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| 증기압 | 0.00000067 [mmHg] |
| Physical Description | Solid[Merck Index] |
| 녹는점 | 158-160℃ |
| 끓는 점 | 305.1°C (rough estimate) |
| 밀도 | 1.1209 (estimate) |
| 굴절률 | 1.5500 (estimate) |
| 저장 조건 | Sealed in dry,2-8°C |
| 용해도 | 아세토니트릴(약간 용해됨), 클로로포름(약간 용해됨) |
| 색상 | 에탄올이나 석유 에테르에서 결정화된 바늘 모양의 결정 |
| BRN | 1909296 |
| 안정성 | 감광성 |
| InChI | InChI=1S/C18H12/c1-3-7-16-13(5-1)9-11-15-12-10-14-6-2-4-8-17(14)18(15)16/h1-12H |
| InChIKey | TUAHORSUHVUKBD-UHFFFAOYSA-N |
| SMILES | C1=C2C(C3C(C=C2)=CC=CC=3)=C2C=CC=CC2=C1 |
| EPA | Benzo[c]phenanthrene (195-19-7) |
화학적 성질
Yellow Solid
안전 및 규제
| GHS 분류 | WarningH302 (76.4%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 55 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H351: Suspected of causing cancer [Warning Carcinogenicity] |
|---|---|
| 규제 정보 | Hazard Traits - Carcinogenicity |
| 유해성 요약 | A skin and strong eye irritantHarmful by ingestion, inhalation, and skin absorptionPossible carcinogen[Sigma-Aldrich MSDS] See POLYCYCLIC AROMATIC HYDROCARBONS. |
| Hazard Classes and Categories | Acute Tox. 4 (76.4%)Carcinogenicity - Category 2 |
| 유해 작용 | IARC Carcinogen - Class 3: Chemicals are not classifiable by the International Agency for Research on Cancer. |
| Carcinogen Classification | Benzo[c]phenanthreneGroup 2B: Possibly carcinogenic to humansVolume 92: (2010) Some Non-heterocyclic Polycyclic Aromatic Hydrocarbons and Some Related Exposures2005NB Overall evaluation upgraded to Group 2B with supporting evidence from other relevant data |
| 수질 위해 등급(WGK) | 3 |
| RTECS 번호 | DI8225000 |
| 운송 번호(UN) | 2811 |
| 독성 | mma-sat 25 nmol/plate CNREA8 40,2876,80 |
| 위험 문구(R) | 20/21/22-36/37/38 |
| 위험 표시 | Xn |
| 안전 문구(S) | 26-37/39 |
| 포장분류 | III |
| 위험 등급 |
용도
용도
Benzo(c)phenanthrene is a PAH metabolite having a toxic effect on fish bone metabolite. Also, it is used as a marker of the carcinogenic potency of the polycyclic aromatic hydrocarbons (PAH) mixture. A genotoxic agent.