2-Bromo-4-nitropyridine

HCID 243015

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Grundinformationen

CAS: 6945-67-1
Standard-SMILES: O=[N+]([O-])c1ccnc(Br)c1
InChIKey: AFVITJKRFRRQKT-UHFFFAOYSA-N
Summenformel: C5H3BrN2O2
Durchschnittliche Molmasse: 202,99 g/mol
Monoisotopische Masse: 201,93779

Namen und Bezeichner

Bevorzugter Name: 2-Bromo-4-nitropyridine
IUPAC: 2-bromo-4-nitropyridine
Englischer Name: 2-Bromo-4-nitropyridine
Summenformel: C5H3BrN2O2
Molmasse: 202.99

Namen und Synonyme

2-bromo-4-nitropyridineDTXSID30287685RefChem:466610DTXCID10238832627-225-26945-67-1MFCD03701383NSC521992-Bromo-4-nitropyridine, 95%NSC-52199AKOS000320205CS-W015484

Weitere Namen anzeigen

2-Bromo-4-nitropyridine>2-Bromo-4-nitropyridine 95%2-Bromo-4-nitropyridine, 96%2-Bromo-4-nitropyridine ISO 9001：2015 REACH

SY004409EN300-86425Pyridine, 2-bromo-4-nitro-AE-842/34022051F1371-01452-bromo-4-nitro-pyridine2-Bromo-4-Nitro PyridineA9188

Datenbank-Bezeichner

CAS: 6945-67-1
PubChem CID: 243015
DTXSID: DTXSID30287685
EC Number: 627-225-2
Nikkaji: J1.352.738E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,7
Polarare Oberfläche (TPSA): 58,7 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 136

Physikochemische Eigenschaften

Schmelzpunkt: 64 ℃ · 64℃
Siedepunkt: 286.1 · 286.1±20.0 °C(Predicted)
Dichte: 1.833 · 1.833±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Aggregatzustand: powder to crystal
pka: -3.12 · -3.12±0.10(Predicted)
Farbe: Light yellow to Yellow to Green
BRN: 120826 · 120826
InChI: InChI=1S/C5H3BrN2O2/c6-5-3-4(8(9)10)1-2-7-5/h1-3H
InChIKey: AFVITJKRFRRQKT-UHFFFAOYSA-N
SMILES: C1(Br)=NC=CC([N+]([O-])=O)=C1
CAS Datenbank: 6945 · 6945-67-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (12.5%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (12.5%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 48 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.