2-(trifluoromethyl)-1H-indole

HCID 10932124CAS 51310-54-4

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: FC(F)(F)c1cc2ccccc2[nH]1
InChIKey: QFHVHZJGQWMBTE-UHFFFAOYSA-N
Summenformel: C9H6F3N
Durchschnittliche Molmasse: 185,15 g/mol
Monoisotopische Masse: 185,04523368

Namen und Bezeichner

Bevorzugter Name: 2-(trifluoromethyl)-1H-indole
IUPAC: 2-(trifluoromethyl)-1H-indole
Englischer Name: 2-Trifluoromethylindole
Summenformel: C9H6F3N
Molmasse: 185.15

Namen und Synonyme

2-(trifluoromethyl)-1H-indole51310-54-4DTXSID60448762RefChem:254895DTXCID603995832-TRIFLUOROMETHYLINDOLEMFCD049721042-(Trifluoromethyl)indole2-Trifluoromethyl-1H-indole1H-Indole, 2-(trifluoromethyl)-SCHEMBL30145SCHEMBL324144

Weitere Namen anzeigen

2-(Trifluoromethyl)indole 97%1 H-INDOLE, 2-(TRIFLUOROMETHYL)

2-trifluoromethyl-(1H)-indoleSCHEMBL9797375SCHEMBL28787328SCHEMBL300635222-(Trifluoromethyl)indole, 97%AKOS005256037CS-W016961AC-22694

Datenbank-Bezeichner

CAS: 51310-54-4
PubChem CID: 10932124
DTXSID: DTXSID60448762
EC Number: 803-765-6
Nikkaji: J703.441E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3
Polarare Oberfläche (TPSA): 15,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 13
Formalladung: 0
Komplexität: 190

Physikochemische Eigenschaften

Schmelzpunkt: 106 · 106-110°C
Siedepunkt: 256.7 · 256.7±35.0 °C(Predicted)
Dichte: 1.367 · 1.367±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
pka: 14.62 · 14.62±0.30(Predicted)
Aggregatzustand: solid
Farbe: Off-white
InChI: 1S/C9H6F3N/c10-9(11,12)8-5-6-3-1-2-4-7(6)13-8/h1-5,13H
InChIKey: QFHVHZJGQWMBTE-UHFFFAOYSA-N
SMILES: FC(F)(F)c1cc2ccccc2[nH]1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, 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 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Sicherheitsdaten

wgk: 3
ridadr: UN 2811 6.1 / PGIII
hs_code: 2933998090
risk_code: 25-36/37/38
hazard_code: T
safety_code: 26-45
hazard_class: IRRITANT
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3