2-Amino-6-bromopyridine

HCID 300809CAS 19798-81-3

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Grundinformationen

Standard-SMILES: Nc1cccc(Br)n1
InChIKey: BKLJUYPLUWUEOQ-UHFFFAOYSA-N
Summenformel: C5H5BrN2
Durchschnittliche Molmasse: 173,01 g/mol
Monoisotopische Masse: 171,96361026

Namen und Bezeichner

Bevorzugter Name: 2-Amino-6-bromopyridine
IUPAC: 6-bromopyridin-2-amine
Englischer Name: 2-Amino-6-bromopyridine
Summenformel: C5H5BrN2
Molmasse: 173.01

Namen und Synonyme

2-Amino-6-bromopyridine19798-81-36-bromopyridin-2-amineDTXSID00306418RefChem:464724DTXCID90257546606-385-72-Pyridinamine, 6-bromo-6-Bromo-2-pyridinamineMFCD001378436-BROMO-PYRIDIN-2-YLAMINE1184170-10-2

Weitere Namen anzeigen

2-AMINO-6-BROMO-PHENOLAminobromopyridine2-AMINO-6-BROMPYRIDINE2A6BP2-Bromo-6-Aminopyridine

6-bromopyridine-2-amine2-Bromo-6-aminopyridine; 6-Bromo-2-aminopyridine; 6-Bromo-2-pyridinamine; 6-Bromopyridin-2-ylamine; NSC 176170;NSC1761706-bromo-2-pyridylamine6-bromopyrid-2-ylamine6-amino-2-bromopyridine6-bromo-2-aminopyridine6-bromopyridin-2-ylamine

Datenbank-Bezeichner

CAS: 19798-81-3
PubChem CID: 300809
DTXSID: DTXSID00306418
ChEMBL: CHEMBL2426226
UNII: XH2AZ5E9WD
EC Number: 606-385-7
Nikkaji: J82.897A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,5
Polarare Oberfläche (TPSA): 38,9 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 8
Formalladung: 0
Komplexität: 76,8

Physikochemische Eigenschaften

Schmelzpunkt: 88 · 88-91 °C (lit.)
Siedepunkt: 273 · 273.0±20.0 °C(Predicted)
Dichte: 1.71 · 1.710±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Chloroform (Slightly), Methanol (Very Slightly)
pka: 2.73 · 2.73±0.24(Predicted)
Aggregatzustand: Powder
Farbe: Slightly yellow to light brown
Wasserlöslichkeit: Slightly soluble in water.
InChI: InChI=1S/C5H5BrN2/c6-4-2-1-3-5(7)8-4/h1-3H,(H2,7,8)
InChIKey: BKLJUYPLUWUEOQ-UHFFFAOYSA-N
SMILES: C1(N)=NC(Br)=CC=C1
CAS Datenbank: 19798 · 19798-81-3(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (16.4%): Harmful if swallowed [Warning Acute toxicity, oral]

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 55 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 20-07-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/30711

Hazard Classes and CategoriesAcute Tox. 4 (16.4%)

Sicherheitsdaten

wgk: 3
hs_code: 29333999
risk_code: 36/37/38-20/21/22
hazard_code: Xi,Xn
safety_code: 26-36-36/37/39
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden2-Amino-6-bromopyridine is a disubstituted pyridine used as a building block in the preparation of nitrogen containing bicyclic and polycylic compounds.