식별자 및 물리적 특성
| CAS No. | 243-17-4 |
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| 분자식 | C17H12 |
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| 평균 분자량 | 216.28 g/mol |
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| 단동위원소 질량 | 216.09390038 g/mol |
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| SMILES | c1ccc2c(c1)Cc1cc3ccccc3cc1-2 |
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| InChIKey | HAPOJKSPCGLOOD-UHFFFAOYSA-N |
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| PubChem CID | 9201 |
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| ChEMBL | CHEMBL1797274 |
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| ChEBI | CHEBI:34566 |
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| EC No. | 205-952-2 |
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| DTXSID | DTXSID1022477 |
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화학 및 물리적 성질
| XLogP | 5.8 |
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| 극성 표면적 | 0 |
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| 수소 결합 공여자 수 | 0 |
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| 수소 결합 수용자 수 | 0 |
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| 회전 가능 결합 수 | 0 |
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| 무거운 원자 수 | 17 |
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| 형식 전하 | 0 |
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| 복잡도 | 282 |
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| Polymers | Other Classes -> Polycyclic Aromatic Hydrocarbons |
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| SpringerMaterials Properties | Density |
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| LogP(분배 계수) | 5.75 |
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| Physical Description | Colorless solid[INCEM EHC] Beige solid[Aldrich MSDS] |
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안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 100% (3 of 3) of all reports.Not ClassifiedAggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory. |
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| 유해성 요약 | May cause irritation[Aldrich MSDS] See POLYCYCLIC AROMATIC HYDROCARBONS. |
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| Hazard Classes and Categories | Not Classified |
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| Carcinogen Classification | Benzo[b]fluoreneGroup 3: Not classifiable as to its carcinogenicity to humansVolume 92: (2010) Some Non-heterocyclic Polycyclic Aromatic Hydrocarbons and Some Related Exposures2005 |
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| EPA Provisional Peer-Reviewed Toxicity Values | 2,3-Benzofluorene5 x 10^-3 mg/kg-day8 x 10^-4 mg/kg-dayPDF DocumentInadequate information to assess carcinogenic potential2024 |
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| Hazard Quotient Level 0.1 or Cancer Risk Level 1E-06 | 3.20e+024.10e+031.00e+022.00e-011.90e+015.00e-03 |
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| Hazard Quotient Level 3 or Cancer Risk Level 1E-04 | 9.50e+021.20e+043.00e+022.00e-015.00e-03Volatile |
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