Grundinformationen
- Standard-SMILES
Nc1ncccc1Br- InChIKey
RBCARPJOEUEZLS-UHFFFAOYSA-N- Summenformel
- C5H5BrN2
- Durchschnittliche Molmasse
- 173,01 g/mol
- Monoisotopische Masse
- 171,96361026
Namen und Bezeichner
- Bevorzugter Name
- 2-Amino-3-bromopyridine
- IUPAC
- 3-bromopyridin-2-amine
- Englischer Name
- 3-Bromo-2-pyridinamine
- Summenformel
- C5H5BrN2
- Molmasse
- 173.01
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
13534-99-1- PubChem CID
- 817700
- DTXSID
DTXSID00355840- EC Number
- 629-620-5
- Nikkaji
- J81.638H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,2
- Polarare Oberfläche (TPSA)
- 38,9 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 76,8
Physikochemische Eigenschaften
- Schmelzpunkt
- 63 · 63-67 °C
- Siedepunkt
- 232 · 232.0±20.0 °C(Predicted)
- Dichte
- 1.6065 · 1.6065 (rough estimate)
- Dampfdruck
- 0.83 · 0.83-1.8Pa at 20-25℃
- Brechungsindex
- 1.5182 · 1.5182 (estimate)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- Aggregatzustand
- Powder
- pka
- 4.14 · 4.14±0.36(Predicted)
- Farbe
- Gray to brown
- BRN
- 109867 · 109867
- InChI
- InChI=1S/C5H5BrN2/c6-4-2-1-3-8-5(4)7/h1-3H,(H2,7,8)
- InChIKey
- RBCARPJOEUEZLS-UHFFFAOYSA-N
- SMILES
- C1(N)=NC=CC=C1Br
- LogP
- 1.5 at · 1.5 at 20℃ and pH7
- CAS Datenbank
- 13534 · 13534-99-1(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (15.7%): 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 51 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29333990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- packing_group
- II
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
Verwenden2-Amino-3-bromopyridine may be used to synthesize:2-acylamido-3-bromopyridines2-anilino-3-bromopyridine3-[(2-methoxyphenyl)ethynyl]pyridin-2-amine3-[(4-methoxyphenyl)ethynyl]pyridin-2-amineN-(bromopyridyl)amidinescarbolines via palladium catalyzed arylation followed by palladium catalyzed amination reaction2-amino-3-cyanopyridine via palladium catalyzed cyanation reaction with potassium ferro-cyanide in the presence of 1,8-diazabicyclo[5.4.0]undec-7-ene [DBU]nitro-substituted N,N′-dipyridinylamines via palladium catalyzed coupling reaction with 2-chloro-3-nitropyridine in the presence of Xantphos ligand2-amino-3-iodopyridine via reaction with sodium iodide in the presence of copper(I)iodide and trans-N,N′-dimethylcyclohexane-1,2-diamine
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