2-Methyl-5-(trifluoromethyl)aniline

HCID 2735933CAS 25449-96-1

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Grundinformationen

Standard-SMILES: Cc1ccc(C(F)(F)F)cc1N
InChIKey: BCLCKENDTZITFB-UHFFFAOYSA-N
Summenformel: C8H8F3N
Durchschnittliche Molmasse: 175,15 g/mol
Monoisotopische Masse: 175,06088392

Namen und Bezeichner

Bevorzugter Name: 2-Methyl-5-(trifluoromethyl)aniline
IUPAC: 2-methyl-5-(trifluoromethyl)aniline
Englischer Name: 3-AMINO-4-METHYLBENZOTRIFLUORIDE
Summenformel: C8H8F3N
Molmasse: 175.15

Namen und Synonyme

2-Methyl-5-(trifluoromethyl)aniline25449-96-1DTXSID50371030RefChem:263518DTXCID70322064671-637-53-Amino-4-methylbenzotrifluoride2-methyl-5-trifluoromethylanilineMFCD001345805-Trifluoromethyl-o-toluidineSCHEMBL3304423-amino-4-methyl-benzotrifluoride

Weitere Namen anzeigen

-5-(trifL2-Methyl-5-Trifluoromethylanil2-methyl-5-thifluoromethylaniline2-Methy-5-(trifluoroMethyl)aniline5-(Trifluoromethyl)-2-methylaniline3-Amino-4-methylbenzotrifluoride98%3-Amino-4-methylbenzotrifluoride 98%3-AMINO-4-METHYLBENZOTRIFLUORIDE(MTA)

CL8403CS-W017460PS-8606SY032231EN300-966882-methyl-5-(trifluoromethyl)phenylamineBenzenamine, 2-methyl-5-(trifluoromethyl)-Benzenamine, 2-methyl-5-

Datenbank-Bezeichner

CAS: 25449-96-1
PubChem CID: 2735933
DTXSID: DTXSID50371030
EC Number: 671-637-5
Nikkaji: J1.868.766F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,3
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

Schmelzpunkt: 34 · 34-38°C
Siedepunkt: 74 °C/8mmHg · 74°C/8mmHg(lit.)
Dichte: 1.237 · 1.237±0.06 g/cm3(Predicted)
Flammpunkt: 96 °C · 96°C
storage temp.: 2 · 2-8°C, protect from light
Löslichkeit: soluble in Methanol
Aggregatzustand: powder to lump
pka: 3.23 · 3.23±0.10(Predicted)
Farbe: Light yellow to Brown
CAS Datenbank: 25449 · 25449-96-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302+H312+H332 (22.2%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

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 9 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.