(±)-4-Fluorphenylglycin

(1)-4-Fluorophenylglycine

HCID 98313

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Grundinformationen

CAS: 7292-73-1
Standard-SMILES: NC(C(=O)O)c1ccc(F)cc1
InChIKey: JKFYKCYQEWQPTM-UHFFFAOYSA-N
Summenformel: C8H8FNO2
Durchschnittliche Molmasse: 169,15 g/mol
Monoisotopische Masse: 169,05390666

Namen und Bezeichner

Bevorzugter Name: (1)-4-Fluorophenylglycine
IUPAC: 2-amino-2-(4-fluorophenyl)acetic acid
Lokaler Name: (±)-4-Fluorphenylglycin
Englischer Name: 4-Fluorophenylglycine
Summenformel: C8H8FNO2
Molmasse: 169.16

Namen und Synonyme

(1)-4-FluorophenylglycineRefChem:10491467292-73-12-amino-2-(4-fluorophenyl)acetic acid4-Fluoro-DL-phenylglycine4-Fluoro-DL-alpha-phenylglycinedl-4-fluorophenylglycineMFCD00066444EINECS 230-724-4SCHEMBL162203amino(4-fluorophenyl)acetic acidAKOS000192684

Weitere Namen anzeigen

DL-4-FluorineDL-PHg(4-F)-OHh-dl-phg(4-f)-ohRARECHEM AK ML 05194-FLUOROPHENYLGLYCINEDL-4-Flurophenylglycine4-Fluoro-α-phenylglycine

AB02694SY004676CS-0128891EN300-137205BENZENEACETIC ACID, ALPHA-AMINO-4-FLUORO-10R-0039F2147-06442-(4-Fluorophenyl)glycine

Datenbank-Bezeichner

CAS: 7292-73-1
PubChem CID: 98313
DTXSID: DTXSID801373109
EC Number: 230-724-4
Nikkaji: J360.088B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -1,6
Polarare Oberfläche (TPSA): 63,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 2
Schwere Atome: 12
Formalladung: 0
Komplexität: 166

Physikochemische Eigenschaften

Schmelzpunkt: 300 °C · ≥300 °C(lit.)
Siedepunkt: 289.9 · 289.9±30.0 °C(Predicted)
Dichte: 1.347 · 1.347±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 1.9 · 1.90±0.10(Predicted)
Aggregatzustand: Powder
Farbe: Pale yellow
BRN: 2804849 · 2804849
InChI: InChI=1S/C8H8FNO2/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7H,10H2,(H,11,12)
InChIKey: JKFYKCYQEWQPTM-UHFFFAOYSA-N
SMILES: C(C1C=CC(F)=CC=1)(N)C(=O)O
CAS Datenbank: 7292 · 7292-73-1(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 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29224999
risk_code: 36/37/38-22
hazard_code: Xi
safety_code: 22-24/25
hazard_class: IRRITANT

Chemie und Industrie

Anwendungen

VerwendenL-4-Fluorophenylglycine (L-4FPG), an inhibitor of the neutral amino acid transporter ASCT1/2, has been shown to regulate extracellular D-serine levels.