[4-Fluoro-3-(trifluoromethyl)phenyl]methanamine

HCID 522270

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Grundinformationen

CAS: 67515-74-6
Standard-SMILES: NCc1ccc(F)c(C(F)(F)F)c1
InChIKey: HZDVQEUISWBXPV-UHFFFAOYSA-N
Summenformel: C8H7F4N
Durchschnittliche Molmasse: 193,14 g/mol
Monoisotopische Masse: 193,05146188

Namen und Bezeichner

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

Namen und Synonyme

(4-Fluoro-3-(trifluoromethyl)phenyl)methanamine[4-Fluoro-3-(trifluoromethyl)phenyl]methanamineRefChem:402828671-097-067515-74-64-Fluoro-3-(trifluoromethyl)benzylamine4-Fluoro-3-(trifluoromethyl)benzyl amineMFCD00070814[4-fluoro-3-(trifluoromethyl)phenyl]methylamine1-[4-fluoro-3-(trifluoromethyl)phenyl]methanamineBenzenemethanamine, 4-fluoro-3-(trifluoromethyl)-4-fluoro-3-trifluoromethyl-benzylamine

Weitere Namen anzeigen

RARECHEM AL BW 06705-(Aminomethyl)-2-fluorobenzotrifluoride4-Fluoro-3-(trifluoromethyl)benzylamine97%4-Fluoro-3-(trifluoromethyl)benzylamine 97%((4-Fluoro-3-(trifluoromethyl)phenyl)methyl)amine

SCHEMBL41768SCHEMBL41769DTXSID703349053-trifluoromethyl-4-fluorobenzylamineCK2417SBB091544AKOS0091591974-Fluoro3-(trifluoromethyl)benzylamine

Datenbank-Bezeichner

CAS: 67515-74-6
PubChem CID: 522270
DTXSID: DTXSID70334905
EC Number: 671-097-0

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: 101 °C · 101°C 3mm
Dichte: 1.312 · 1.312
Brechungsindex: 1.456 · 1.456
Flammpunkt: 101 °C/3mm · 101°C/3mm
storage temp.: 2 · Keep in dark place,Inert atmosphere,2-8°C
pka: 8 · 8+-.0.10(Predicted)
Aggregatzustand: solid
BRN: 3083164 · 3083164
InChI: 1S/C8H7F4N/c9-7-2-1-5(4-13)3-6(7)8(10,11)12/h1-3H,4,13H2
InChIKey: HZDVQEUISWBXPV-UHFFFAOYSA-N
SMILES: NCc1ccc(F)c(c1)C(F)(F)F
CAS Datenbank: 67515 · 67515-74-6(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]；H335 (16.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 3 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.