기본 정보
- CAS
892-21-7- 표준 SMILES
O=[N+]([O-])c1ccc2c3c(cccc13)-c1ccccc1-2- InChIKey
PIHGQKMEAMSUNA-UHFFFAOYSA-N- 분자식
- C16H9NO2
- 평균 분자량
- 247.25 g/mol
- 단동위원소 질량
- 247.06332853
개요
3-Nitrofluoranthene is a nitronaphthalene.
이름 및 식별자
- 우선 이름
- 3-Nitrofluoranthene
- IUPAC
- 3-nitrofluoranthene
- 영어명
- 3-Nitrofluoranthene
- 분자식
- C16H9NO2
- 분자량
- 247.25
이름 및 동의어
3-NITROFLUORANTHENE892-21-7Fluoranthene, 3-nitro-4-NitrofluorantheneR9796OQK2MDTXSID0074976NSC-57468RefChem:95033DTXCID6048674681-940-4CCRIS 20543-Nitro-fluoranthene
이름 더 보기
3-nitro-fluoranthenTIMTEC-BB SBB0085753-Nitrofluoranthene,98%C20964700 3-Nitrofluoranthene3-NITROFLUORANTHENE, TECH., 90%3-Nitrofluoranthene in Cyclohexane
NITROFLUORANTHENE (purity)MFCD00085494NSC 57468BRN 2216474UNII-R9796OQK2Mbmse0007563-05-00-02279 (Beilstein Handbook Reference)BIDD:ER0660
데이터베이스 식별자
- CAS
892-21-7- PubChem CID
- 13462
- DTXSID
DTXSID0074976- ChEMBL
CHEMBL350865- ChEBI
CHEBI:34345- UNII
- R9796OQK2M
- EC Number
- 681-940-4
- Nikkaji
- J551G
물성
구조 계산 물성
- XLogP
- 4.7
- 극성 표면적
- 45.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 377
실험 및 물리화학적 성질
PolymersOther Classes -> Polycyclic Aromatic Hydrocarbons
Physical DescriptionGold solid; [Acros Organics MSDS]
물리화학적 성질
- 녹는점
- 157 · 157-159 °C (lit.)
- 끓는 점
- 390.29 °C · 390.29°C (rough estimate)
- 밀도
- 1.1699 · 1.1699 (rough estimate)
- 굴절률
- 1.53 · 1.5300 (estimate)
- 저장 조건
- 2 · 2-8°C
- 물리적 상태
- powder
- BRN
- 2216474 · 2216474
- Henry's Law Constant
- 1.1 · 1.1×102 mol/(m3Pa) at 25℃, Parnis et al. (2015)
- InChI
- 1S/C16H9NO2/c18-17(19)15-9-8-13-11-5-2-1-4-10(11)12-6-3-7-14(15)16(12)13/h1-9H
- InChIKey
- PIHGQKMEAMSUNA-UHFFFAOYSA-N
- SMILES
- [O-][N+](=O)c1ccc2-c3ccccc3-c4cccc1c24
- EPA
- 3 · 3-Nitrofluoranthene (892-21-7)
화학적 성질
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H341 (100%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 12 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Hazards SummaryMay cause irritation; [Acros Organics MSDS] See POLYCYCLIC AROMATIC HYDROCARBONS.
Hazard Classes and CategoriesMuta. 2 (100%)
독성 정보
Carcinogen Classification
3-Nitrofluoranthene
Group 3: Not classifiable as to its carcinogenicity to humans
Volume 33: (1984) Polynuclear Aromatic Compounds, Part 2: Carbon Blacks, Mineral Oils and Some Nitroarenes
1987
1987
안전 데이터
- wgk
- 3
- rtecs
- LL4750000
- HS 번호
- 29042000
- safety_code
- 24/25
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Substances that increase the risk of NEOPLASMS in humans or animals. Both genotoxic chemicals, which affect DNA directly, and nongenotoxic chemicals, which induce neoplasms by other mechanism, are included.
Chemical agents that increase the rate of genetic mutation by interfering with the function of nucleic acids. A clastogen is a specific mutagen that causes breaks in chromosomes.
용도 및 제조
Uses
Present in particulate matter in diesel exhaust and in urban air; [IARC] Produced directly or indirectly from incomplete combustion; NitroPAHs are formed from PAHs through nitration during combustion (i.e. diesel exhaust) or in the atmosphere; [INCHEM EHC]
응용 분야
일반 설명3-Nitrofluoranthene (3-NFA) is a nitro-polycyclic aromatic hydrocarbon (nitro-PAH). It is an air pollutant present in diesel exhaust and also in some xerographic toners and copies. Vibrational spectra of 3-NFA has been analyzed by FT-IR and density functional theory calculations. Detection of 3-NFA in suspended particulate matter has been reported by liquid chromatography with fluorescence detection. Carcinogenicity of 3-nitrofluoranthene in male F344/DuCrj rats has been studied. Voltammetric determination of 3-nitrofluoranthene in mixed methanol-water solutions by differential pulse voltammetry (DPV) at boron doped diamond thin-film electrode (BDDE) has been described. Analysis of 3-nitrofluoranthene, by HPLC separation and with electrochemiluminescence detection (ECL) has been reported.
공급사20 곳
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
盐城通铭生物科技有限公司15195160625 · [email protected]
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