2-Bromo-5-fluoropyridin-3-amine

HCID 40427367CAS 884495-03-8

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: Nc1cc(F)cnc1Br
InChIKey: QUZAKZBKMMUARE-UHFFFAOYSA-N
Summenformel: C5H4BrFN2
Durchschnittliche Molmasse: 191 g/mol
Monoisotopische Masse: 189,95418845

Namen und Bezeichner

Bevorzugter Name: 2-Bromo-5-fluoropyridin-3-amine
IUPAC: 2-bromo-5-fluoropyridin-3-amine
Englischer Name: 3-Amino-2-bromo-5-fluoropyridine
Summenformel: C5H4BrFN2
Molmasse: 191

Namen und Synonyme

884495-03-82-bromo-5-fluoropyridin-3-amineDTXSID90654273RefChem:257348DTXCID90605023675-558-73-Amino-2-Bromo-5-fluoropyridineMFCD056624132-Bromo-5-fluoro-pyridin-3-amineSCHEMBL319244AKOS006295455CS-W015858

Weitere Namen anzeigen

3-Amino-2-bromo-5-fL2-Bromo-5-fluoro-3-pyridinamine2-broMo-5-fluoro-3-aMinopyridine3-Pyridinamine, 2-bromo-5-fluoro-2-Bromo-5-fluoro-pyridin-3-ylamine3-Amino-2-bromo-5-fluoropyridine,97%3-Amino-2-bromo-5-fluoropyridine 98%3-Amino-2-bromo-5-fluoropyridine ISO 9001：2015 REACH

AB21745AC-51632-bromo-5-fluoro-3-pyridylamineSCHEMBL297053633-Amino-2-bromo-5-fluoropyridine,SBB0518433-Amino-2-bromo-5-fluoropyridine, 97%SY030939

Datenbank-Bezeichner

CAS: 884495-03-8
PubChem CID: 40427367
DTXSID: DTXSID90654273
EC Number: 675-558-7

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,3
Polarare Oberfläche (TPSA): 38,9 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 101

Physikochemische Eigenschaften

Schmelzpunkt: 114 · 114-116 °C
Siedepunkt: 273.6 · 273.6±35.0 °C(Predicted)
Dichte: 1.813 · 1.813±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Aggregatzustand: solid
pka: -0.5 · -0.50±0.10(Predicted)
Farbe: White to off-white
InChI: InChI=1S/C5H4BrFN2/c6-5-4(8)1-3(7)2-9-5/h1-2H,8H2
InChIKey: QUZAKZBKMMUARE-UHFFFAOYSA-N
SMILES: C1(Br)=NC=C(F)C=C1N

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (89.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+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 46 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (89.1%)

Sicherheitsdaten

wgk: 3
hs_code: 2933399990
risk_code: 22-41
hazard_code: Xn
safety_code: 26-39
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1

Chemie und Industrie

Anwendungen · 1 Eintrag

Beschreibung3-Amino-2-bromo-5-fluoropyridine is a polyhalogenated pyridine with the chemical formula C5H4BrFN2. The compound has three functional groups: amino, bromine and fluorine, which change its reactivity. It is a crucial compound that could be used as a pharmaceutical intermediate in pharmaceutical synthesis and scientific research.