2-Acetamido-5-bromopyridine

HCID 293097CAS 7169-97-3

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Grundinformationen

Standard-SMILES: CC(=O)Nc1ccc(Br)cn1
InChIKey: MJFCOXATGBYERZ-UHFFFAOYSA-N
Summenformel: C7H7BrN2O
Durchschnittliche Molmasse: 215,05 g/mol
Monoisotopische Masse: 213,97417494

Namen und Bezeichner

Bevorzugter Name: 2-Acetamido-5-bromopyridine
IUPAC: N-(5-bromo-2-pyridinyl)acetamide
Englischer Name: 2-Acetylamino-5-bromopyridine
Summenformel: C7H7BrN2O
Molmasse: 215.05

Namen und Synonyme

2-Acetamido-5-bromopyridineDTXSID80303622RefChem:462754DTXCID10254754626-709-07169-97-3n-(5-bromopyridin-2-yl)acetamide2-Acetylamino-5-bromopyridineMFCD00468968N-(5-bromo-2-pyridyl)acetamideN-(5-bromo-2-pyridinyl)acetamiden-(5-bromo-pyridin-2-yl)-acetamide

Weitere Namen anzeigen

SKL8732-Acetamido-5-bromopyridine >N-(5-BROMO-PYRIDIN-2-YL)-ACETAMIDE2-Acetylamino-5-bromopyridine, 98%2-ACETYLAMINO-5-BROMOPYRIDINE, PURISS, 98%JR-8242, 2-Acetylamino-5-bromopyridine, 97%

Acetamide, N-(5-bromo-2-pyridinyl)-N-ACETYLAMINO-5-BROMOPYRIDINENSC159406SCHEMBL356367SCHEMBL29883001N-(5-bromopyrid-2-yl)acetamideN-(5bromo-2-pyridinyl)acetamiden-(5-bromo-pyridin-2-yl)acetamide

Datenbank-Bezeichner

CAS: 7169-97-3
PubChem CID: 293097
DTXSID: DTXSID80303622
EC Number: 626-709-0
Nikkaji: J454.766G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,1
Polarare Oberfläche (TPSA): 42 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 151

Physikochemische Eigenschaften

Schmelzpunkt: 175 · 175-179 °C (lit.)
Siedepunkt: 372.2 · 372.2±27.0 °C(Predicted)
Dichte: 1.63 · 1.630±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Aggregatzustand: powder to crystal
pka: 12.94 · 12.94±0.70(Predicted)
Farbe: White to Light yellow
InChI: 1S/C7H7BrN2O/c1-5(11)10-7-3-2-6(8)4-9-7/h2-4H,1H3,(H,9,10,11)
InChIKey: MJFCOXATGBYERZ-UHFFFAOYSA-N
SMILES: CC(=O)Nc1ccc(Br)cn1
CAS Datenbank: 7169 · 7169-97-3(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29339900
risk_code: 22-36/37/38-43-40
hazard_code: Xn,T
safety_code: 26-36/37/39-22
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3