2-Amino-4,4,4-trifluorobutanoic acid

HCID 353083

Notizen Reaktionen

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 15959-93-0
Standard-SMILES: NC(CC(F)(F)F)C(=O)O
InChIKey: AQPCXCOPDSEKQT-UHFFFAOYSA-N
Summenformel: C4H6F3NO2
Durchschnittliche Molmasse: 157,09 g/mol
Monoisotopische Masse: 157,03506292

Namen und Bezeichner

Bevorzugter Name: 2-Amino-4,4,4-trifluorobutanoic acid
IUPAC: 2-amino-4,4,4-trifluorobutanoic acid
Englischer Name: 2-Amino-4,4,4-trifluoro-n-butyric acid hydrochloride
Summenformel: C4H6F3NO2
Molmasse: 157.09

Namen und Synonyme

2-amino-4,4,4-trifluorobutanoic acidDTXSID20936130RefChem:4639752-A-TFBADTXCID10136474315959-93-02-Amino-4,4,4-trifluorobutyric acidButanoic acid, 2-amino-4,4,4-trifluoro-MFCD000414172-AMINO-4,4,4-TRIFLUORO-N-BUTYRIC ACID HYDROCHLORIDE2-Amino-4,4,4-trifluoro-butanoic acidNSC600193

Weitere Namen anzeigen

2-Amino-4,4,4-trifluorobutanoic acid hydrochloride2-Amino-4,4,4-trifluorobutyricacid97%2-Amino-4,4,4-trifluorobutyric acid 97%2-Amino-4,4,4-trifluoro-n-butyric acid HCl4,4,4-TRIFLUORO-ALPHA-HOMOALANINE HYDROCHLORIDE2-AMINO-4,4,4-TRIFLUOROBUTYRIC ACID HYDROCHLORIDE2-Amino-4,4,4-trifluorobutyric Acid Hydrochloride >

3-TrifluoromethylalanineSCHEMBL76553SBB0170522-amino-4,4,4-trifluorobutanoicacidAKOS000175581AKOS017344483AB68601AB71803

Datenbank-Bezeichner

CAS: 15959-93-0
PubChem CID: 353083
DTXSID: DTXSID20936130
EC Number: 672-765-4
Nikkaji: J2.544.160E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -1,9
Polarare Oberfläche (TPSA): 63,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 6
Frei drehbare Bindungen: 2
Schwere Atome: 10
Formalladung: 0
Komplexität: 133

Physikochemische Eigenschaften

Schmelzpunkt: 250 °C · 250°C (dec.)
Siedepunkt: 185.2 · 185.2±40.0 °C(Predicted)
Dichte: 1.432 · 1.432±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
Aggregatzustand: powder to crystaline
pka: 1.92 · 1.92±0.10(Predicted)
Farbe: White to Light yellow to Light orange
BRN: 1769355 · 1769355
InChI: InChI=1S/C4H6F3NO2/c5-4(6,7)1-2(8)3(9)10/h2H,1,8H2,(H,9,10)
InChIKey: AQPCXCOPDSEKQT-UHFFFAOYSA-N
SMILES: C(O)(=O)C(N)CC(F)(F)F
CAS Datenbank: 15959 · 15959-93-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (75%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 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.