7-(Trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline

HCID 10375551

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Grundinformationen

CAS: 199678-32-5
Standard-SMILES: FC(F)(F)c1ccc2c(c1)CNCC2
InChIKey: NGQHLYGRTFVUEM-UHFFFAOYSA-N
Summenformel: C10H10F3N
Durchschnittliche Molmasse: 201,19 g/mol
Monoisotopische Masse: 201,07653381

Namen und Bezeichner

Bevorzugter Name: 7-(Trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
IUPAC: 7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
Englischer Name: 7-(Trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
Summenformel: C10H10F3N
Molmasse: 201.19

Namen und Synonyme

7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline199678-32-5DTXSID50438899RefChem:310216DTXCID00389721816-891-17-Trifluoromethyl-1,2,3,4-tetrahydroisoquinolineMFCD080592967-Trifluoromethyl-1,2,3,4-tetrahydro-isoquinolineCHEMBL274997-trifluoromethyl-tetrahydroisoquinolineISOQUINOLINE, 1,2,3,4-TETRAHYDRO-7-(TRIFLUOROMETHYL)-

Weitere Namen anzeigen

T901017-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline hcl 97%

SCHEMBL183621SCHEMBL2300516SCHEMBL29808272BDBM50072979EBC-03588AKOS005264251AB43077AS-47661

Datenbank-Bezeichner

CAS: 199678-32-5
PubChem CID: 10375551
DTXSID: DTXSID50438899
ChEMBL: CHEMBL27499
EC Number: 816-891-1
Nikkaji: J974.630G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,4
Polarare Oberfläche (TPSA): 12 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 0
Schwere Atome: 14
Formalladung: 0
Komplexität: 202

Physikochemische Eigenschaften

Siedepunkt: 228.9 · 228.9±35.0 °C(Predicted)
Dichte: 1.213 · 1.213±0.06 g/cm3(Predicted)
pka: 8.85 · 8.85±0.20(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning 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+P317, 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 2 reports by companies from 2 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.