Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HCID 17518생성일: 2026년 10월 24일
1,3,5-트리클로로트리니트로벤젠
1,3,5-트리클로로트리니트로벤젠 · TCTNB · Bulbosan · 1,3,5-trichlorotrinitrobenzene · Benzene, 1,3,5-trichloro-2,4,6-trinitro- · Bulbosan, TCTNB, 1,3,5-Trichloro-2,4,6-trinitrobenzene
https://huagongshe.com/ko/chemical/17518
식별자 및 물리적 특성
| CAS No. | 2631-68-7 |
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| 분자식 | C6Cl3N3O6 |
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| 평균 분자량 | 316.4 g/mol |
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| 단동위원소 질량 | 314.88526776 g/mol |
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| SMILES | O=[N+]([O-])c1c(Cl)c([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1Cl |
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| InChIKey | LZMONXBJUOXABQ-UHFFFAOYSA-N |
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| PubChem CID | 17518 |
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| EC No. | 220-115-1 |
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| DTXSID | DTXSID4062565 |
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| 현지명 | 1,3,5-트리클로로트리니트로벤젠 |
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화학 및 물리적 성질
| XLogP | 2.6 |
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| 극성 표면적 | 137 |
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| 수소 결합 공여자 수 | 0 |
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| 수소 결합 수용자 수 | 6 |
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| 회전 가능 결합 수 | 0 |
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| 무거운 원자 수 | 18 |
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| 형식 전하 | 0 |
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| 복잡도 | 303 |
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| 물질 분류 | Nitrogen Compounds -> Nitros, Aromatic |
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| SpringerMaterials Properties | Schoenflies notation |
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| 증기압 | 0.00000022 [mmHg] |
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| Physical Description | Wet Solid |
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| 녹는점 | 193 °C |
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| 끓는 점 | 319.45°C (rough estimate) |
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| 밀도 | 1.9924 (estimate) |
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| InChI | InChI=1S/C6Cl3N3O6/c7-1-4(10(13)14)2(8)6(12(17)18)3(9)5(1)11(15)16 |
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| InChIKey | LZMONXBJUOXABQ-UHFFFAOYSA-N |
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| SMILES | C1(Cl)=C([N+]([O-])=O)C(Cl)=C([N+]([O-])=O)C(Cl)=C1[N+]([O-])=O |
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| EPA | 1,3,5-Trichloro-2,4,6-trinitrobenzene (2631-68-7) |
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안전 및 규제
| GHS 분류 | DangerH302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P321, P330, P333+P317, P342+P316, P362+P364, P403, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| 규제 정보 | Benzene, 1,3,5-trichloro-2,4,6-trinitro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 1,3,5-trichloro-2,4,6-trinitro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 10-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/34156 |
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| 유해성 요약 | A mild skin and severe eye irritantCauses other somnolence and dyspnea in inhalation lethal-concentration studies of rats[RTECS] See 1,3,5-Trinitrobenzene. See Trinitrochlorobenzene. |
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| Hazard Classes and Categories | Acute Tox. 4 (97.5%) |
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| Toxicity Data | LCLo (rat) = 684 mg/m3/1hr |
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| TSCA 등재 상태 | TSCA listed |
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| 독성 | LCLo ihl-rat: 684 mg/m3/1H NTIS** UCRL-13701 |
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