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HCID 9795Erstellt: 26. Oktober 2026

2-Nitro-α,α,α-trifluortoluol

2-Nitro-Alpha · 1-Nitro-2-(trifL · 2-Nitrobenzotrifluor · 2-NITROBENZOTRIFLUORIDE · O-NITROBENZOTRIFLUORIDE · 2-Nitrobenzotrifluoride98% · 2-Nitrobenzotrifluoride 98% · Ortho nitrotrifluorotoluene

https://huagongshe.com/de/chemical/9795

Molekülstruktur von 2-Nitro-α,α,α-trifluortoluol

Identifikatoren & physikalische Daten

CAS No.384-22-5
SummenformelC7H4F3NO2
Durchschnittliche Molmasse191,11 g/mol
Monoisotopische Masse191,01941286 g/mol
SMILESO=[N+]([O-])c1ccccc1C(F)(F)F
InChIKeyNDZJSUCUYPZXPR-UHFFFAOYSA-N
PubChem CID9795
ChEMBLCHEMBL3182055
EC No.206-855-8
DTXSIDDTXSID4025793
Lokaler Name2-Nitro-α,α,α-trifluortoluol

Chemische & physikalische Eigenschaften

XLogP2,6
Polarare Oberfläche (TPSA)45,8
H-Brücken-Donoren0
H-Brücken-Akzeptoren5
Frei drehbare Bindungen0
Schwere Atome13
Formalladung0
Komplexität199
Flammpunkt204 °F (NTP, 1992)96 °C95°C
Siedepunkt219 to 221 °F at 20 mmHg (NTP, 1992)216°C
Schmelzpunkt88 to 90 °F (NTP, 1992)32°C
Dampfdruck0.14 [mmHg]
Physical Description2-nitro-alpha,alpha,alpha-trifluorotoluene appears as yellow crystals. Insoluble in water. (NTP, 1992)Yellow solid[CAMEO] Colorless crystalline solidmp = 31-32 deg C[MSDSonline]
Dichte1.3910 (estimate)
LöslichkeitChloroform (Slightly), Methanol (Slightly)insoluble
Aggregatzustandlow melting solid
CAS Datenbank384-22-5(CAS DataBase Reference)
NIST chemische Informationen2-Nitro-«alpha»,«alpha»,«alpha»-trifluorotoluene(384-22-5)
EPA chemische Informationen1-Nitro-2-(trifluoromethyl)benzene (384-22-5)

Sicherheit & Vorschriften

GHS-EinstufungDangerH301+H311+H331 (50%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]H311 (50%): Toxic in contact with skin [Danger Acute toxicity, dermal]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H330 (50%): Fatal if inhaled [Danger Acute toxicity, inhalation]H331 (50%): Toxic if inhaled [Danger Acute toxicity, inhalation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
DOT-KennzeichnungPoison
BrandgefahrenThis compound is combustible. (NTP, 1992)
GesundheitsgefahrenExcerpt from ERG Guide 152 [Substances - Toxic (Combustible)]:Highly toxic, may be fatal if inhaled, ingested or absorbed through skin. Contact with molten substance may cause severe burns to skin and eyes. Avoid any skin contact. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause environmental contamination. (ERG, 2024)
GefahrenübersichtEmergency treatment: Methemoglobinemia[HSDB] An irritant[MSDSonline]
Reaktive GruppeNitro, Nitroso, Nitrate, and Nitrite Compounds, OrganicFluorinated Organic Compounds
Reactivity ProfileA halogenated aromatic nitro compound. Aromatic nitro compounds range from slight to strong oxidizing agents. If mixed with reducing agents, including hydrides, sulfides and nitrides, they may begin a vigorous reaction that culminates in a detonation. The aromatic nitro compounds may explode in the presence of a base such as sodium hydroxide or potassium hydroxide even in the presence of water or organic solvents. The explosive tendencies of aromatic nitro compounds are increased by the presence of multiple nitro groups.
Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesAcute Tox. 3 (50%)Acute Tox. 4 (50%)Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)Acute Tox. 2 (50%)STOT SE 3 (100%)
BrandbekämpfungFires involving this compound can be controlled using drychemicals, carbon dioxide or Halon extinguishers. (NTP, 1992)
Erste HilfeEYES: 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.SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment.INHALATION: IMMEDIATELY leave the contaminated areatake deep breaths of fresh air. IMMEDIATELY call a physician and be prepared to transport the victim to a hospital even if no symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be usedif not available, use a level of protection greater than or equal to that advised under Protective Clothing.INGESTION: If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Generally, the induction of vomiting is NOT recommended outside of a physician's care due to the risk of aspirating the chemical into the victim's lungs. However, if the victim is conscious and not convulsing and if medical help is not readily available, consider the risk of inducing vomiting because of the high toxicity of the chemical ingested. Ipecac syrup or salt water may be used in such an emergency. IMMEDIATELY transport the victim to a hospital. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)
Freisetung ohne BrandExcerpt from ERG Guide 152 [Substances - Toxic (Combustible)]:ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area. Do not touch damaged containers or spilled material unless wearing appropriate protective clothing. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. Cover with plastic sheet to prevent spreading. Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers. DO NOT GET WATER INSIDE CONTAINERS. (ERG, 2024)
Isolation and EvacuationExcerpt from ERG Guide 152 [Substances - Toxic (Combustible)]:IMMEDIATE PRECAUTIONARY MEASURE: Isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids.SPILL: Increase the immediate precautionary measure distance, in the downwind direction, as necessary.FIRE: If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directionsalso, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2024)
Personal Protective Equipment (PPE)RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with a combination filter cartridge, i.e. organic vapor/acid gas/HEPA (specific for organic vapors, HCl, acid gas, SO2 and a high efficiency particulate filter). (NTP, 1992)
Unerwünschte WirkungenMethemoglobinemia - The presence of increased methemoglobin in the bloodthe compound is classified as secondary toxic effect
UN-Transportnummer3431
Zollcode2921420090
RTECS-Nr.XT3480000
R-Sätze (R)23/24/25-36/37/38
GefahrensymboleXi,T
hazard_noteToxic/Irritant
Sicherheitshinweise (S)26-36/37/39
Gefahrenklasse6.1(b)
VerpackungsgruppeIII
Gefahrstoffdaten384-22-5(Hazardous Substances Data)