4-fluoro-L-phenylalanine

HCID 716312

Grundinformationen

CAS
1132-68-9
Standard-SMILES
N[C@@H](Cc1ccc(F)cc1)C(=O)O
InChIKey
XWHHYOYVRVGJJY-QMMMGPOBSA-N
Summenformel
C9H10FNO2
Durchschnittliche Molmasse
183,18 g/mol
Monoisotopische Masse
183,06955672

Namen und Bezeichner

Bevorzugter Name
4-fluoro-L-phenylalanine
IUPAC
(2S)-2-amino-3-(4-fluorophenyl)propanoic acid
Englischer Name
L-4-Fluorophenylalanine
Summenformel
C9H10FNO2
Molmasse
183.18

Namen und Synonyme

1132-68-94-FLUORO-L-PHENYLALANINEp-Fluoro-L-phenylalanineL-4-Fluorophenylalanine(s)-4-fluorophenylalanine(2S)-2-amino-3-(4-fluorophenyl)propanoic acidL-Phenylalanine, 4-fluoro-S-(-)-p-FluorophenylalanineE2K2VDK6KKCHEBI:44909DTXSID201017098CHEBI:84060
Weitere Namen anzeigen
L-4-F-PheL-4-F-Phe-OHL-4-F-Phe-0HL-4-FLUOROPHEH-PHE(P-F)-OHL-Phe(4-F)-OHH-L-PHE(4-F)-OH4-FLUORO-PHE-OH
RefChem:523460DTXCID401475290601-248-84-Fluorophenylalanineh-phe(4-f)-oh(s)-2-amino-3-(4-fluorophenyl)propanoic acidMFCD00063064UNII-E2K2VDK6KK

Datenbank-Bezeichner

CAS
1132-68-9、60-17-3
PubChem CID
716312
DTXSID
DTXSID201017098
ChEMBL
CHEMBL1235242
ChEBI
CHEBI:44909
UNII
E2K2VDK6KK
EC Number
200-459-9、601-248-8
Nikkaji
J863J

Eigenschaften

Berechnete Struktureigenschaften

XLogP
-1,9
Polarare Oberfläche (TPSA)
63,3 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
3
Schwere Atome
13

Physikochemische Eigenschaften

Schmelzpunkt
255 °C · ~255 °C (dec.)
Siedepunkt
313.3 · 313.3±32.0 °C(Predicted)
Dichte
1.1939 · 1.1939 (estimate)
storage temp.
Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit
Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
pka
2.2 · 2.20±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.

Warning

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (66.7%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (66.7%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (33.3%): 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, P317, 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 3 reports by companies.;There are 2 notifications provided by 2 of 3 reports by companies with hazard statement code(s).;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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (66.7%);Acute Tox. 4 (66.7%);Skin Irrit. 2 (33.3%);Eye Irrit. 2 (33.3%);Acute Tox. 4 (66.7%);STOT SE 3 (33.3%)

Sicherheitsdaten

wgk
3
hs_code
29224999
RTECS-Nr.
DW1765000
hazard_note
Harmful
safety_code
23-24/25

Chemie und Industrie

Anwendungen

Verwenden4-Fluoro-L-phenylalanine is a substrate for tyrosine hydroxylase (TH) that has been used to study the regulation of that enzyme.

Anbieter6 Anbieter

上海丽康新材料有限公司+86-16631818819 +86-17736933208 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
DONBOO AMINO ACID COMPANY13063595538 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: A L-phenylalanine derivative that is L-phenylalanine in which the hydrogen at position 4 on the benzene ring is replaced by a fluoro group.

Zugehörige Reaktionen

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