2-Methoxy-5-(trifluoromethyl)aniline

HCID 600637CAS 349-65-5

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: COc1ccc(C(F)(F)F)cc1N
InChIKey: RKUSRLUGUVDNKP-UHFFFAOYSA-N
Summenformel: C8H8F3NO
Durchschnittliche Molmasse: 191,15 g/mol
Monoisotopische Masse: 191,05579854

Überblick

2-Methoxy-5-(trifluoromethyl)aniline is a member of (trifluoromethyl)benzenes.

Namen und Bezeichner

Bevorzugter Name: 2-Methoxy-5-(trifluoromethyl)aniline
IUPAC: 2-methoxy-5-(trifluoromethyl)aniline
Englischer Name: 2-Methoxy-5-(trifluoromethyl)aniline
Summenformel: C8H8F3NO
Molmasse: 191.15

Namen und Synonyme

2-Methoxy-5-(trifluoromethyl)aniline349-65-5DTXSID10344947RefChem:474442DTXCID40296021626-005-33-Amino-4-methoxybenzotrifluoride2-Amino-4-trifluoromethylanisoleMFCD00042486Benzenamine, 2-methoxy-5-(trifluoromethyl)-2-methoxy-5-(trifluoromethyl)benzenamine2-Methoxy-5-trifluoromethylaniline

Weitere Namen anzeigen

BUTTPARK 50\01-75Telmovir impurity HLetermovir Intermediate 25-trifluoromethyl-o-anisidine6-methoxy-α,α,α-trifluoro-m-toluidine2-Methoxy-5-(trifluoromethyl)aniline>

2-Amino-4-(trifluoromethyl)anisole5-(Trifluoromethyl)-2-methoxyaniline2-Methoxy-5-trifluoromethyl-phenylamineM2212VU0510740-16-Methoxy-.alpha.,.alpha.,.alpha.-trifluoro-m-toluidine2-Methoxy-5-(trifluoromethyl)phenylamine5-(Trifluoromethyl)-o-anisidine

Datenbank-Bezeichner

CAS: 349-65-5
PubChem CID: 600637
DTXSID: DTXSID10344947
ChEBI: CHEBI:194915
UNII: BPM53GMU3T
EC Number: 626-005-3
Nikkaji: J265.587J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,3
Polarare Oberfläche (TPSA): 35,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 171

Physikochemische Eigenschaften

Schmelzpunkt: 58 · 58-60 °C (lit.)
Siedepunkt: 230.1 · 230.1±40.0 °C(Predicted)
Dichte: 1.2645 · 1.2645 (estimate)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 3.31 · 3.31±0.10(Predicted)
Aggregatzustand: Crystalline Powder
Farbe: Beige-gray to brown
BRN: 2835713 · 2835713
InChI: InChI=1S/C8H8F3NO/c1-13-7-3-2-5(4-6(7)12)8(9,10)11/h2-4H,12H2,1H3
InChIKey: RKUSRLUGUVDNKP-UHFFFAOYSA-N
SMILES: C1(N)=CC(C(F)(F)F)=CC=C1OC
CAS Datenbank: 349 · 349-65-5(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): 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 85 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

wgk: 3
ridadr: UN2811
hs_code: 29222990
risk_code: 20/21/22-36/37/38
hazard_code: Xn,Xi
hazard_note: Irritant
safety_code: 26-36-36/37/39
hazard_class: 6.1
packing_group: III
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3