3-Fluoro-4-(trifluoromethyl)benzylamine

HCID 2737567CAS 235106-09-9

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Grundinformationen

Standard-SMILES: NCc1ccc(C(F)(F)F)c(F)c1
InChIKey: XYWYEOHNURYGGP-UHFFFAOYSA-N
Summenformel: C8H7F4N
Durchschnittliche Molmasse: 193,14 g/mol
Monoisotopische Masse: 193,05146188

Namen und Bezeichner

Bevorzugter Name: 3-Fluoro-4-(trifluoromethyl)benzylamine
IUPAC: [3-fluoro-4-(trifluoromethyl)phenyl]methanamine
Englischer Name: 3-Fluoro-4-(trifluoromethyl)benzylamine
Summenformel: C8H7F4N
Molmasse: 193.14

Namen und Synonyme

3-Fluoro-4-(trifluoromethyl)benzylamine235106-09-9DTXSID50372148RefChem:279410DTXCID60323181[3-fluoro-4-(trifluoromethyl)phenyl]methanamineMFCD00236287(3-fluoro-4-(trifluoromethyl)phenyl)methanamineBenzenemethanamine, 3-fluoro-4-(trifluoromethyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methylamine3-fluoro-4-trifluoromethylbenzylamineSCHEMBL297408

Weitere Namen anzeigen

RARECHEM AL BW 08753-Fluoro-4-(trifluoromethyl)benzylamine 97%3-Fluoro-4-(trifluoromethyl)benzenemethanamine

SCHEMBL19356858SCHEMBL301396521-[3-FLUORO-4-(TRIFLUOROMETHYL)PHENYL]METHANAMINESBB091540AKOS006228783PS-8323s10416AC-25952

Datenbank-Bezeichner

CAS: 235106-09-9
PubChem CID: 2737567
DTXSID: DTXSID50372148
EC Number: 679-159-9

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 26 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 168

Physikochemische Eigenschaften

Siedepunkt: 195.1 · 195.1±35.0 °C(Predicted)
Dichte: 1.312 · 1.312±0.06 g/cm3(Predicted)
Brechungsindex: 1.453 · 1.453
storage temp.: 2 · Keep in dark place,Sealed in dry,2-8°C
pka: 8.34 · 8.34±0.10(Predicted)
Aggregatzustand: liquid
Farbe: Clear, yellow to light yellow
InChI: 1S/C8H7F4N/c9-7-3-5(4-13)1-2-6(7)8(10,11)12/h1-3H,4,13H2
InChIKey: XYWYEOHNURYGGP-UHFFFAOYSA-N
SMILES: NCc1ccc(c(F)c1)C(F)(F)F
CAS Datenbank: 235106 · 235106-09-9(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory.；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.