Grundinformationen
- CAS
14091-15-7- Standard-SMILES
NC(Cc1ccc(Br)cc1)C(=O)O- InChIKey
PEMUHKUIQHFMTH-UHFFFAOYSA-N- Summenformel
- C9H10BrNO2
- Durchschnittliche Molmasse
- 244,08 g/mol
- Monoisotopische Masse
- 242,98949066
Überblick
4-bromophenylalanine is a phenylalanine derivative that is phenylalanine substituted by a bromo group at position 4 of the phenyl ring. It is a phenylalanine derivative and a member of bromobenzenes.
Namen und Bezeichner
- Bevorzugter Name
- 4-Bromophenylalanine
- IUPAC
- 2-amino-3-(4-bromophenyl)propanoic acid
- Lokaler Name
- p-Brom-DL-phenylalanin
- Englischer Name
- 4-BROMO-DL-PHENYLALANINE
- Summenformel
- C9H10BrNO2
- Molmasse
- 244.09
Namen und Synonyme
4-Bromophenylalaninep-Br-Phenylalaninep-Br-Phepara-Bromophenylalanine1991-80-6DTXSID30930942RefChem:520538DTXCID6099348414091-15-72-amino-3-(4-bromophenyl)propanoic acid4-Bromo-dl-phenylalaninep-Bromo-DL-phenylalanine
Weitere Namen anzeigen
H-DL-Phe(3-Br)-OH4-BROMO-PHENYLALANINE2-AMino-3-(4-broMophenyl)propionic acid HClBromo DLDL-Phe(4-Br)-OHH-DL-PHE(P-BR)-OHH-DL-PHE(4-BR)-OH4-BroMphenylalanin
DL-4-Br-Phe-OHMFCD00002599Phenylalanine, 4-bromo-2-Amino-3-(4-bromophenyl)propionic acidP-BROMOPHENYLALANINEH-P-BROMO-DL-PHE-OHEINECS 237-941-3NSC-12762
Datenbank-Bezeichner
- CAS
14091-15-7、1991-80-6- PubChem CID
- 85681
- DTXSID
DTXSID30930942- ChEBI
CHEBI:233009- EC Number
- 237-941-3
- Nikkaji
- J1.339.761I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,4
- Polarare Oberfläche (TPSA)
- 63,3 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 178
Physikochemische Eigenschaften
- Schmelzpunkt
- 262 · 262-263 °C (dec.)(lit.)
- Siedepunkt
- 368.4 · 368.4±32.0 °C(Predicted)
- Dichte
- 1.5757 · 1.5757 (rough estimate)
- Brechungsindex
- 1.612 · 1.6120 (estimate)
- storage temp.
- 2 · 2-8°C
- pka
- 2.18 · 2.18±0.10(Predicted)
- Aggregatzustand
- Powder
- Farbe
- White
- BRN
- 2212158 · 2212158
- Major Application
- peptide synthesis
- InChI
- 1S/C9H10BrNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)
- InChIKey
- PEMUHKUIQHFMTH-UHFFFAOYSA-N
- SMILES
- NC(Cc1ccc(Br)cc1)C(O)=O
- CAS Datenbank
- 14091 · 14091-15-7(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 2.4% (1 of 41) of reports.
Warning
H315 (97.6%): Causes skin irritation [Warning Skin corrosion/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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (97.6%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29224985
- safety_code
- 24/25-22
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Zugehörige Reaktionen
12
Notizen zur Verbindung
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