α,α,α-Trifluor-o-toluidin
2-(Trifluoromethyl)aniline
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Grundinformationen
- CAS
88-17-5- Standard-SMILES
Nc1ccccc1C(F)(F)F- InChIKey
VBLXCTYLWZJBKA-UHFFFAOYSA-N- Summenformel
- C7H6F3N
- Durchschnittliche Molmasse
- 161,12 g/mol
- Monoisotopische Masse
- 161,04523385
Überblick
2-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.
Namen und Bezeichner
- Bevorzugter Name
- 2-(Trifluoromethyl)aniline
- IUPAC
- 2-(trifluoromethyl)aniline
- Lokaler Name
- α,α,α-Trifluor-o-toluidin
- Englischer Name
- 2-Aminobenzotrifluoride
- Summenformel
- C7H6F3N
- Molmasse
- 161.12
Namen und Synonyme
2-(TRIFLUOROMETHYL)ANILINE2-Aminobenzotrifluoride88-17-52-Trifluoromethylanilineo-(Trifluoromethyl)anilineBenzenamine, 2-(trifluoromethyl)-alpha,alpha,alpha-Trifluoro-o-toluidineCCRIS 28112-trifluoromethylphenylamineEINECS 201-806-72-TrifluromethylanilineAI3-26182
Weitere Namen anzeigen
2-(trifluoromethyl)2-AminotrifluorotolueneO-AMINOBENZOTRIFLUORIDE2-(TrifLAKOS 911352-TrifluoroMetAKOS BBS-00004462TIMTEC-BB SBB0039552-Aminobenzotrifluor
I1R59842CENSC-10336UNII-I1R59842CEDTXSID7058961.alpha.,.alpha.,.alpha.-Trifluoro-o-toluidineEC 201-806-7UN 29422-AMINO-.ALPHA.,.ALPHA.,.ALPHA.-TRIFLUOROTOLUENE
Datenbank-Bezeichner
- CAS
88-17-5- PubChem CID
- 6922
- DTXSID
DTXSID7058961- ChEMBL
CHEMBL249549- UNII
- I1R59842CE
- EC Number
- 201-806-7
- Nikkaji
- J59.713I
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 2,4
- Polarare Oberfläche (TPSA)
- 26 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 132
Experimentelle und physikochemische Eigenschaften
Chemical ClassesFlammable agents - 2nd degree
PFAS
PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008
PFAS -> 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.
Physikochemische Eigenschaften
- Schmelzpunkt
- 34 °C · 34 °C(lit.)
- Siedepunkt
- 170 · 170-173 °C(lit.)
- Dichte
- 1.282 g/mL · 1.282 g/mL at 25 °C(lit.)
- Dampfdruck
- 2.1 · 2.1-12.1hPa at 20-50℃
- Brechungsindex
- 20 · n20/D 1.481(lit.)
- Flammpunkt
- 131 °F · 131 °F
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- 4 g/l · 4g/l
- Aggregatzustand
- Liquid
- pka
- 1.1 · 1.10±0.10(Predicted)
- Wichte
- 1.282 · 1.282
- Farbe
- Clear colorless to light amber
- Wasserlöslichkeit
- 4 g/L · 4 g/L (20 ºC)
- BRN
- 879494 · 879494
- InChI
- 1S/C7H6F3N/c8-7(9,10)5-3-1-2-4-6(5)11/h1-4H,11H2
- InChIKey
- VBLXCTYLWZJBKA-UHFFFAOYSA-N
- SMILES
- Nc1ccccc1C(F)(F)F
- LogP
- 2.32 at · 2.32 at 23℃ and pH7
- CAS Datenbank
- 88 · 88-17-5(CAS DataBase Reference)
- NIST chemische Informationen
- 2 · Benzenamine, 2-(trifluoromethyl)-(88-17-5)
- EPA chemische Informationen
- o-(Trifluoromethyl)aniline (88-17-5)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 0.8% (2 of 236) of reports.
Danger
H226 (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.
Gefahrenhinweise
Regulatory Information
Status: Active Update: 21-05-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/11316
2-(Trifluoromethyl) aniline: Does not have an individual approval but may be used under an appropriate group standard
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.)
DOT LabelPoison
Fire Hazards
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
· Combustible material: may burn but does not ignite readily.
Health Hazards
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
· TOXIC and/or CORROSIVE; inhalation, ingestion or skin contact with material may cause severe injury or death.
DOT ID and Guide2942 153
Reactive GroupFluorinated Organic Compounds
Reactivity Profile
2-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 Classification
2-Trifluoromethylaniline
UN2942
Div 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 Categories
Flam. Liq. 3 (64%)
Flammable agents - 2nd degree
Sicherheit und Schutzausrüstung
Fire FightingExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Accidental Release Measures
· 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.
First Aid
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
General First Aid:
Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Nonfire Spill ResponseExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Isolation and Evacuation
Excerpt 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
Sicherheitsdaten
- wgk
- 1
- tsca
- TSCA listed
- ridadr
- UN 2942
- hs_code
- 29214300
- RTECS-Nr.
- XU9210000
- risk_code
- 10-23/24/25-33-36/37/38-22-20/21/22
- hazard_code
- T,Xi,Xn,F
- hazard_note
- Toxic/Irritant
- safety_code
- 36/37/39-45-37/39-26-16-36
- hazard_class
- 6.1
- packing_group
- III
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 2Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2Skin Sens. 1BSTOT RE 2 Oral
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationBenzenamine, 2-(trifluoromethyl)-: ACTIVE
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