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HCID 6922Erstellt: 25. Oktober 2026

α,α,α-Trifluor-o-toluidin

2-(TRIFLUOROMETHYL)ANILINE · 2-(trifluoromethyl) · 2-Aminotrifluorotoluene · O-AMINOBENZOTRIFLUORIDE · 2-(TrifL · AKOS 91135 · 2-TrifluoroMet · AKOS BBS-00004462

https://huagongshe.com/de/chemical/6922

Molekülstruktur von α,α,α-Trifluor-o-toluidin

Identifikatoren & physikalische Daten

CAS No.88-17-5
SummenformelC7H6F3N
Durchschnittliche Molmasse161,12 g/mol
Monoisotopische Masse161,04523385 g/mol
SMILESNc1ccccc1C(F)(F)F
InChIKeyVBLXCTYLWZJBKA-UHFFFAOYSA-N
PubChem CID6922
ChEMBLCHEMBL249549
EC No.201-806-7
DTXSIDDTXSID7058961
Lokaler Nameα,α,α-Trifluor-o-toluidin

Chemische & physikalische Eigenschaften

XLogP2,4
Polarare Oberfläche (TPSA)26
H-Brücken-Donoren1
H-Brücken-Akzeptoren4
Frei drehbare Bindungen0
Schwere Atome11
Formalladung0
Komplexität132
StoffklassenFlammable agents - 2nd degree
PFASPFAS -> PFAS identified in REACH Regulation EC No. 1272/2008PFAS -> Suspected persistent, mobile, toxic (PMT) PFAS or PFAS-like compounds
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physical Description2-trifluoromethylaniline appears as a colorless liquid with a fishlike odor. Insoluble in water and denser than water. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion. Used to make other chemicals.
Schmelzpunkt34 °C(lit.)
Siedepunkt170-173 °C(lit.)
Dichte1.282 g/mL at 25 °C(lit.)
Dampfdruck2.1-12.1hPa at 20-50℃
Brechungsindexn20/D 1.481(lit.)
Flammpunkt131 °F
LagerbedingungenStore below +30°C.
Löslichkeit4g/l4 g/L (20 ºC)
AggregatzustandLiquid
pKa (Säurekonstante)1.10±0.10(Predicted)
Wichte1.282
FarbeClear colorless to light amber
BRN879494
InChI1S/C7H6F3N/c8-7(9,10)5-3-1-2-4-6(5)11/h1-4H,11H2
InChIKeyVBLXCTYLWZJBKA-UHFFFAOYSA-N
SMILESNc1ccccc1C(F)(F)F
LogP (Verteilungskoeffizient)2.32 at 23℃ and pH7
CAS Datenbank88-17-5(CAS DataBase Reference)
NIST chemische InformationenBenzenamine, 2-(trifluoromethyl)-(88-17-5)
EPA chemische Informationeno-(Trifluoromethyl)aniline (88-17-5)

Sicherheit & Vorschriften

GHS-EinstufungThis chemical does not meet GHS hazard criteria for 0.8% (2 of 236) of reports.DangerH226 (64%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 236 reports by companies from 19 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische InformationenStatus: Active Update: 21-05-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/113162-(Trifluoromethyl) aniline: Does not have an individual approval but may be used under an appropriate group standardThe 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-KennzeichnungPoison
BrandgefahrenExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:· Combustible material: may burn but does not ignite readily.
GesundheitsgefahrenExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:· TOXIC and/or CORROSIVEinhalation, ingestion or skin contact with material may cause severe injury or death.
DOT-Nummer und Handbuch2942 153
Reaktive GruppeFluorinated Organic Compounds
Reactivity Profile2-TRIFLUOROMETHYLANILINE is a trifluoromethyl- and amine-substituted aromatic compound. Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides.
DOT Hazard Classification2-TrifluoromethylanilineUN2942Div 6.1 Poisonous materials (49 eCFR § 173.132)PG III: the degree of danger presented by the material is minor
Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesFlam. Liq. 3 (64%)Flammable agents - 2nd degree
BrandbekämpfungExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Freisetungsmaßnahmen· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.
Erste HilfeExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:General First Aid:
Expositionsschutz und Persönliche Schutzausrüstung· Wear positive pressure self-contained breathing apparatus (SCBA).
Freisetung ohne BrandExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Isolation and EvacuationExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:Immediate precautionary measure
Personal Protective Equipment (PPE)Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Emergency Response Planning GuidelinesSmall Fire
Wassergefährdungsklasse (WGK)1
TSCA-Inventar-StatusTSCA listed
UN-TransportnummerUN 2942
Zollcode29214300
RTECS-Nr.XU9210000
R-Sätze (R)10-23/24/25-33-36/37/38-22-20/21/22
GefahrensymboleT,Xi,Xn,F
hazard_noteToxic/Irritant
Sicherheitshinweise (S)36/37/39-45-37/39-26-16-36
Gefahrenklasse6.1Acute Tox. 4 OralAquatic Chronic 2Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2Skin Sens. 1BSTOT RE 2 Oral
VerpackungsgruppeIII
Lagerklasse3 - Flammable liquids