2-Bromophenylalanine

HCID 193338

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Grundinformationen

CAS: 1991-79-3
Standard-SMILES: N[C@@H](Cc1ccccc1Br)C(=O)O
InChIKey: JFVLNTLXEZDFHW-QMMMGPOBSA-N
Summenformel: C9H10BrNO2
Durchschnittliche Molmasse: 244,08 g/mol
Monoisotopische Masse: 242,98949066

Überblick

2-bromo-L-phenylalanine is a L-phenylalanine derivative that is L-phenylalanine substituted by a bromo group at position 2 of the phenyl ring. It is a member of bromobenzenes and a L-phenylalanine derivative.

Namen und Bezeichner

Bevorzugter Name: 2-Bromophenylalanine
IUPAC: (2S)-2-amino-3-(2-bromophenyl)propanoic acid
Englischer Name: L-2-Bromophenylalanine
Summenformel: C9H10BrNO2
Molmasse: 244.09

Namen und Synonyme

2-Bromophenylalanineo-Bromo-L-phenylalaninePhenylalanine, 2-bromo-DTXSID70173694RefChem:85893DTXCID10961851991-79-342538-40-9L-2-Bromophenylalanine2-Bromo-L-Phenylalanine(S)-2-Amino-3-(2-bromophenyl)propanoic acid(2S)-2-amino-3-(2-bromophenyl)propanoic acid

Weitere Namen anzeigen

L-2-Br-Phe-OHL-Phe(2-Br)-OHL-2-Bromo-phe-OHH-O-BROMO-L-PHE-OHRARECHEM BK PT 0037

H-PHE(2-BR)-OHMFCD03092958(2S)-2-azaniumyl-3-(2-bromophenyl)propanoateL-2-BROMOPHE2-AMINO-3-(2-BROMO-PHENYL)-PROPIONIC ACID(S)-2-BROMOPHENYLALANINESCHEMBL43302SCHEMBL29400473

Datenbank-Bezeichner

CAS: 1991-79-3、42538-40-9
PubChem CID: 193338
DTXSID: DTXSID70173694
ChEBI: CHEBI:233123
EC Number: 805-065-6
Nikkaji: J2.105.332E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,7
Polarare Oberfläche (TPSA): 63,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 13
Formalladung: 0
Komplexität: 186

Physikochemische Eigenschaften

Schmelzpunkt: 270 °C · 270°C (dec.)
Siedepunkt: 363.2 · 363.2±32.0 °C(Predicted)
Dichte: 1.588 · 1.588±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: Powder
pka: 2.16 · 2.16±0.10(Predicted)
Farbe: Off-white
InChI: InChI=1S/C9H10BrNO2/c10-7-4-2-1-3-6(7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1
InChIKey: JFVLNTLXEZDFHW-QMMMGPOBSA-N
SMILES: C(O)(=O)[C@H](CC1=CC=CC=C1Br)N
CAS Datenbank: 42538 · 42538-40-9(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.