5-Bromopyridine-2-carboxamide

HCID 735151CAS 90145-48-5

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Grundinformationen

Standard-SMILES: NC(=O)c1ccc(Br)cn1
InChIKey: IPWPEOLXILHOLV-UHFFFAOYSA-N
Summenformel: C6H5BrN2O
Durchschnittliche Molmasse: 201,02 g/mol
Monoisotopische Masse: 199,95852488

Namen und Bezeichner

Bevorzugter Name: 5-Bromopyridine-2-carboxamide
IUPAC: 5-bromopyridine-2-carboxamide
Englischer Name: 5-BROMOPYRIDINE-2-CARBOXAMIDE 97%5-BROMOPICOLINAMIDE
Summenformel: C6H5BrN2O
Molmasse: 201.02

Namen und Synonyme

5-Bromopyridine-2-carboxamide90145-48-5DTXSID90352742RefChem:302073DTXCID60303807692-030-15-BROMOPICOLINAMIDEMFCD040667155-BROMOPYRIDINE-2-CARBOXAMIDE 97%5-BROMOPICOLINAMIDESCHEMBL157129SCHEMBL2996011IPWPEOLXILHOLV-UHFFFAOYSA-N

Weitere Namen anzeigen

2-Pyridinecarboxamide,5-bromo5-Bromopyridine-2-carboxamide 97%5-Bromopicolinamide, 5-Bromo-2-carbamoylpyridine5-BROMOPYRIDINE-2-CARBOXAMIDE 97%5-BROMOPICOLINAMIDE ISO 9001：2015 REACH

SBB055622AKOS002354397AC-5076CS-W022338FS-2661SB77869SDCCGSBI-0660197.P0015-bromo-pyridine-2-carboxylic acid amide

Datenbank-Bezeichner

CAS: 90145-48-5
PubChem CID: 735151
DTXSID: DTXSID90352742
EC Number: 692-030-1

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,8
Polarare Oberfläche (TPSA): 56 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 140

Physikochemische Eigenschaften

Schmelzpunkt: 218 · 218-220
Siedepunkt: 329.1 · 329.1±27.0 °C(Predicted)
Dichte: 1.71 · 1.710±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
pka: 14.79 · 14.79±0.50(Predicted)
InChI: InChI=1S/C6H5BrN2O/c7-4-1-2-5(6(8)10)9-3-4/h1-3H,(H2,8,10)
InChIKey: IPWPEOLXILHOLV-UHFFFAOYSA-N
SMILES: C1(C(N)=O)=NC=C(Br)C=C1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.