Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
2,4,7- 트리니트로 9H- 플루 오렌 -9- 원
2,4,7-트리니트로9H-플루오렌-9-원 · 2,4,7-트리니트로-9-플루오레논 · TNF · mTNF-α · tnf(ketone) · TRINITROFLUORENONE · LABOTEST-BB LT00645370 · 2,4,7-trinitrofluorone
식별자 및 물리적 특성
| CAS No. | 129-79-3 |
|---|---|
| 분자식 | C13H5N3O7 |
| 평균 분자량 | 315.19 g/mol |
| 단동위원소 질량 | 315.01274951 g/mol |
| SMILES | O=C1c2cc([N+](=O)[O-])ccc2-c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-] |
| InChIKey | VHQGURIJMFPBKS-UHFFFAOYSA-N |
| PubChem CID | 8521 |
| ChEMBL | CHEMBL164435 |
| EC No. | 204-965-0 |
| DTXSID | DTXSID1026245 |
| 현지명 | 2,4,7- 트리니트로 9H- 플루 오렌 -9- 원 |
화학 및 물리적 성질
| XLogP | 2.4 |
|---|---|
| 극성 표면적 | 155 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 7 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 23 |
| 형식 전하 | 0 |
| 복잡도 | 563 |
| Polymers | Other Classes -> Polycyclic Aromatic Hydrocarbons |
| SpringerMaterials Properties | Angular frequency |
| LogP(분배 계수) | 2.42 |
| Color/Form | PALE YELLOW NEEDLES FROM ACETIC ACID OR BENZENE |
| 용해도 | less than 1 mg/mL at 64 °F (NTP, 1992)SLIGHTLY SOL IN WATERVERY SOL IN ACETONE, BENZENE, CHLOROFORM |
| 녹는점 | 348 °F (NTP, 1992)175.2-176 °C176-178°C |
| 증기압 | 1.1e-10 mmHg (NTP, 1992) |
| Physical Description | 2,4,7-trinitrofluoren-9-one appears as pale yellow needles (from acetic acid or benzene) or yellow powder. (NTP, 1992)Pale yellow solid[Hawley] Yellow powder[MSDSonline] |
| 끓는 점 | 454.77°C (rough estimate) |
| 밀도 | 1.5148 (rough estimate) |
| 굴절률 | 1.5600 (estimate) |
| 저장 조건 | -20°C |
| 물리적 상태 | 가루 |
| 색상 | 하얀색 |
| 생물학적 소스 | rat |
| 용해도 | water: soluble |
| EPA | 2,4,7-Trinitrofluoren-9-one (129-79-3) |
안전 및 규제
| GHS 분류 | DangerH319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| 규제 정보 | The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| 운송 라벨(DOT) | Explosive 1.1D |
| 화재 위험 | Literature sources indicate that this compound is flammable. (NTP, 1992) |
| 건강 유해성 | SYMPTOMS: Symptoms of exposure to this compound may include eye and skin irritation. |
| 유해성 요약 | Carcinogenicity in man cannot be assessed conclusively because of insufficient data (Group 3B)[MAK] A skin and eye irritant[Hawley] A severe eye irritant[MSDSonline] See 1-Nitropyrene. See Trinitrofluorenone. |
| 반응성 그룹 | Ketones |
| Special Reports | DHHS/NTPNTP Technical Rpt on Toxicity Studies of Trinitrofluorenone Admin by Dermal Application and Dosed Feed to F344/N Rats and B6C3F1 Mice NTP Tox 13 (1992) |
| Reactivity Profile | Literature sources indicate that this compound is flammable. (NTP, 1992). Aromatic nitrates range from slight to strong oxidizing agents. If mixed with reducing agents, including hydrides, sulfides and nitrides, they may begin a vigorous reaction. |
| Air and Water Reactions | Insoluble in water. |
| Hazard Classes and Categories | Eye Irrit. 2 (100%) |
| 소화 | Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992) |
| 응급 처치 | EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. |
용도
용도
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일반 설명
Pale yellow needles (from acetic acid or benzene) or yellow powder.