4-Methyl-3-(trifluoromethyl)aniline

HCID 2737715

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Grundinformationen

CAS: 65934-74-9
Standard-SMILES: Cc1ccc(N)cc1C(F)(F)F
InChIKey: JBCDCYFEJQHTTA-UHFFFAOYSA-N
Summenformel: C8H8F3N
Durchschnittliche Molmasse: 175,15 g/mol
Monoisotopische Masse: 175,06088392

Namen und Bezeichner

Bevorzugter Name: 4-Methyl-3-(trifluoromethyl)aniline
IUPAC: 4-methyl-3-(trifluoromethyl)aniline
Englischer Name: 4-Methyl-3-(trifluoromethyl)aniline
Summenformel: C8H8F3N
Molmasse: 175.15

Namen und Synonyme

4-Methyl-3-(trifluoromethyl)aniline65934-74-9DTXSID50372224RefChem:294294DTXCID10323257626-514-05-AMINO-2-METHYLBENZOTRIFLUORIDE4-Methyl-3-trifluoromethylanilineMFCD01631582M2659EN300-247234-methyl-3-(trifluoromethyl)phenylamine

Weitere Namen anzeigen

AVAC-010Ponatinib Impurity 133-Trifluoromethyl-p-toluidineMethyl-5-amino-benzotrifluoride5-AMINO-2-METHYLBENZOTRIFLORIDE5-Amino-2-methylbenzotrifuoride4-methyl-3-trifluoromethylanilin2-Methyl-5-aminobenzotrifluoride

Benzenamine, 4-methyl-3-(trifluoromethyl)-4-METHYL-3-TRIFLUOROMETHYL-PHENYLAMINE4-Methyl-5-Trifluoromethylaniline(4-Methyl-3-trifluoromethylphenyl)amine; 3-Trifluoromethyl-4-methylaniline; 4-Amino-2-trifluoromethyltoluene; 4-Methyl-3-(trifluoromethyl)aniline; 4-Methyl-3-(trifluoromethyl)benzenamine4-methyl-3-(trifluoromethyl)benzenamineFT-0619984SCHEMBL171825SCHEMBL4382521

Datenbank-Bezeichner

CAS: 65934-74-9
PubChem CID: 2737715
DTXSID: DTXSID50372224
EC Number: 626-514-0
Nikkaji: J1.375.098J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,5
Polarare Oberfläche (TPSA): 26 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 0
Schwere Atome: 12
Formalladung: 0
Komplexität: 155

Physikochemische Eigenschaften

Siedepunkt: 204 °C · 204 °C(lit.)
Dichte: 1.22 g/mL · 1.220 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.490(lit.)
Flammpunkt: 215 °F · 215 °F
storage temp.: 2 · 2-8°C(protect from light)
Löslichkeit: DMSO (Slightly), Methanol (Slightly)
Aggregatzustand: Oil
pka: 3.81 · 3.81±0.10(Predicted)
Wichte: 1.24 · 1.240
Farbe: Pale Orange to Light Brown
BRN: 6776230 · 6776230
InChI: InChI=1S/C8H8F3N/c1-5-2-3-6(12)4-7(5)8(9,10)11/h2-4H,12H2,1H3
InChIKey: JBCDCYFEJQHTTA-UHFFFAOYSA-N
SMILES: C1(N)=CC=C(C)C(C(F)(F)F)=C1
CAS Datenbank: 65934 · 65934-74-9(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (13%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (13%)

Sicherheitsdaten

wgk: 3
ridadr: 2810
hs_code: 2921490090
risk_code: 36/37/38
hazard_code: Xi,T,Xn
hazard_note: Toxic
safety_code: 26-36
hazard_class: 6.1
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden4-Methyl-3-(trifluoromethyl)aniline may be used as a starting reagent in the synthesis of tert-butyl 4-methyl-3-(trifluoromethyl)phenylcarbamate.