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HCID 8521Erstellt: 28. Oktober 2026

2,4,7-Trinitrofluoren-9-on

TNF · mTNF-α · tnf(ketone) · TRINITROFLUORENONE · LABOTEST-BB LT00645370 · 2,4,7-trinitrofluorone · 2,4,7-Trinirofluorenone · 2,4,7-TRINITROFLUORENONE

https://huagongshe.com/de/chemical/8521

Molekülstruktur von 2,4,7-Trinitrofluoren-9-on

Identifikatoren & physikalische Daten

CAS No.129-79-3
SummenformelC13H5N3O7
Durchschnittliche Molmasse315,19 g/mol
Monoisotopische Masse315,01274951 g/mol
SMILESO=C1c2cc([N+](=O)[O-])ccc2-c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-]
InChIKeyVHQGURIJMFPBKS-UHFFFAOYSA-N
PubChem CID8521
ChEMBLCHEMBL164435
EC No.204-965-0
DTXSIDDTXSID1026245
Lokaler Name2,4,7-Trinitrofluoren-9-on

Chemische & physikalische Eigenschaften

XLogP2,4
Polarare Oberfläche (TPSA)155
H-Brücken-Donoren0
H-Brücken-Akzeptoren7
Frei drehbare Bindungen0
Schwere Atome23
Formalladung0
Komplexität563
PolymersOther Classes -> Polycyclic Aromatic Hydrocarbons
SpringerMaterials PropertiesAngular frequency
LogP (Verteilungskoeffizient)2.42
Color/FormPALE YELLOW NEEDLES FROM ACETIC ACID OR BENZENE
Löslichkeitless than 1 mg/mL at 64 °F (NTP, 1992)SLIGHTLY SOL IN WATERVERY SOL IN ACETONE, BENZENE, CHLOROFORMwater: soluble
Schmelzpunkt348 °F (NTP, 1992)175.2-176 °C176-178°C
Dampfdruck1.1e-10 mmHg (NTP, 1992)
Physical Description2,4,7-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]
Siedepunkt454.77°C (rough estimate)
Dichte1.5148 (rough estimate)
Brechungsindex1.5600 (estimate)
Lagerbedingungen-20°C
Aggregatzustandpowder
Farbewhite
Biologische Quellerat
CAS Datenbank129-79-3(CAS DataBase Reference)
EPA chemische Informationen2,4,7-Trinitrofluoren-9-one (129-79-3)

Sicherheit & Vorschriften

GHS-EinstufungDangerH319 (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.
Regulatorische InformationenThe 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.)
DOT-KennzeichnungExplosive 1.1D
BrandgefahrenLiterature sources indicate that this compound is flammable. (NTP, 1992)
GesundheitsgefahrenSYMPTOMS: Symptoms of exposure to this compound may include eye and skin irritation.
GefahrenübersichtCarcinogenicity 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.
Reaktive GruppeKetones
Special ReportsDHHS/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 ProfileLiterature 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 ReactionsInsoluble in water.
Hazard Classes and CategoriesEye Irrit. 2 (100%)
BrandbekämpfungFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
Erste Hilfe

Anwendungen & Verwendung

Verwenden

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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.
Freisetung ohne BrandSMALL SPILLS AND LEAKAGE: If a spill of this chemical occurs, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with acetone and transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Isolation and EvacuationExcerpt from ERG Guide 112 [Explosives - Division 1.1, 1.2, 1.3 or 1.5]:
Personal Protective Equipment (PPE)RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
Ongoing Test StatusThe following link will take the user to the National Toxicology Program (NTP) Test Agent Search Results page, which tabulates all of the "Standard Toxicology & Carcinogenesis Studies", "Developmental Studies", and "Genetic Toxicity Studies" performed with this chemical. Clicking on the "Testing Status" link will take the user to the status (i.e., in review, in progress, in preparation, on test, completed, etc.) and results of all the studies that the NTP has done on this chemical. [http://ntp-apps.niehs.nih.gov/ntp_tox/index.cfm?fuseaction=ntpsearch.searchresults&searchterm=129-79-3]
Non-Human Toxicity Excerpts2,4,7-TRINITRO-9-FLUORENONE INDUCED BOTH FRAMESHIFT MUTATIONS & BASE-PAIR SUBSTITUTIONS IN SALMONELLA TYPHIMURIUM STRAINS TA100, TA98, TA1537 & TA1538. COMPARISONS OF MUTAGENIC POTENCY SUGGEST IMPORTANCE OF CARBONYL GROUP SUBSTITUTED AT THE CARBON-9 POSITION OF MUTAGENIC DERIV.NITRATED DERIVATIVES OF FLUORENE ARE POTENT FRAMESHIFT-TYPE MUTAGENS. REDN OF NITRO FUNCTION IS REQUIRED FOR EXPRESSION OF MUTAGENICITY. HYDROXYLAMINES ARE PRESUMED KEY INTERMEDIATES, WHICH FOLLOWING ESTERIFICATION TO ELECTROPHILS ARE CAPABLE OF FORMING ADDUCTS WITH CELLULAR DNA.2,4,7-TRINITRO-9H-FLUOREN-9-ONE IS MUTAGENIC IN SALMONELLA TYPHIMURIUM/MICROSOMAL ASSAY WITH & WITHOUT S9 METABOLISM. IT IS PRIMARILY A FRAMESHIFT MUTAGEN. IT IS ALSO MUTAGENIC IN MOUSE LYMPHOMA ASSAY & CHINESE HAMSTER OVARY CELLS.
Toxicity DataLC (mice) > 3,500 mg/m3/6h
Wassergefährdungsklasse (WGK)3
TSCA-Inventar-StatusTSCA listed
UN-TransportnummerUN 0387
R-Sätze (R)23/24/25-33
ToxizitätLD50 oral in rat: 9910mg/kg
Sicherheitshinweise (S)9-16-36/37/39
Gefahrenklasse1.1D
Lagerklasse10 - Combustible liquids
Gefahrstoffdaten129-79-3(Hazardous Substances Data)