6-Bromo-2-methyl-3-nitropyridine

HCID 24728014CAS 22282-96-8

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Grundinformationen

Standard-SMILES: Cc1nc(Br)ccc1[N+](=O)[O-]
InChIKey: PCNVKBBKROTUNS-UHFFFAOYSA-N
Summenformel: C6H5BrN2O2
Durchschnittliche Molmasse: 217,02 g/mol
Monoisotopische Masse: 215,95344

Namen und Bezeichner

Bevorzugter Name: 6-Bromo-2-methyl-3-nitropyridine
IUPAC: 6-bromo-2-methyl-3-nitropyridine
Englischer Name: 2-BROMO-5-NITRO-6-PICOLINE
Summenformel: C6H5BrN2O2
Molmasse: 217.02

Namen und Synonyme

22282-96-86-bromo-2-methyl-3-nitropyridine2-Bromo-6-methyl-5-nitropyridineDTXSID00646104RefChem:540770DTXCID80596855694-528-42-Bromo-5-nitro-6-picolineMFCD030952192-bromo-5-nitro-6-methylpyridineCS-D0966AKOS005255975

Weitere Namen anzeigen

6-Bromo-3-nitropicoline6-Bromo-2-methyl-3-nitro-p2-BROMO-5-NITRO-6-PICOLIN...6-Brom-2-methyl-3-nitro-pyridi6-Brom-2-methyl-3-nitro-pyridin

6-Bromo-2-methyl-3-nitropyridine, 97%SY017254EN300-1577516-bromo-2-methyl-3-nitro-pyridine6-bromo-3-nitro-2-picolineFT-0648082SCHEMBL1128565PCNVKBBKROTUNS-UHFFFAOYSA-N

Datenbank-Bezeichner

CAS: 22282-96-8
PubChem CID: 24728014
DTXSID: DTXSID00646104
EC Number: 694-528-4

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,1
Polarare Oberfläche (TPSA): 58,7 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 159

Physikochemische Eigenschaften

Schmelzpunkt: 69 · 69-70°C
Siedepunkt: 274 · 274.0±35.0 °C(Predicted)
Dichte: 1.709 · 1.709±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
Löslichkeit: Chloroform
pka: -2.52 · -2.52±0.10(Predicted)
Aggregatzustand: Solid
Farbe: Yellow
InChI: 1S/C6H5BrN2O2/c1-4-5(9(10)11)2-3-6(7)8-4/h2-3H,1H3
InChIKey: PCNVKBBKROTUNS-UHFFFAOYSA-N
SMILES: Cc1nc(Br)ccc1[N+]([O-])=O
CAS Datenbank: 22282 · 22282-96-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (97.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 5 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.