5-Bromo-4-methylpyridine-2-carbonitrile

HCID 53395468CAS 886364-86-9

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: Cc1cc(C#N)ncc1Br
InChIKey: JAQLBGDFALXUMV-UHFFFAOYSA-N
Summenformel: C7H5BrN2
Durchschnittliche Molmasse: 197,03 g/mol
Monoisotopische Masse: 195,96361

Namen und Bezeichner

Bevorzugter Name: 5-Bromo-4-methylpyridine-2-carbonitrile
IUPAC: 5-bromo-4-methylpyridine-2-carbonitrile
Englischer Name: 5-Bromo-4-methyl-pyridine-2-carbonitrile
Summenformel: C7H5BrN2
Molmasse: 197.03

Namen und Synonyme

886364-86-95-Bromo-4-methylpyridine-2-carbonitrileDTXSID10694156RefChem:301910DTXCID20644905691-626-95-Bromo-4-methylpicolinonitrile5-Bromo-2-cyano-4-methylpyridine5-BROMO-4-METHYL-2-PYRIDINECARBONITRILE5-bromo-4-methyl-pyridine-2-carbonitrileMFCD07375090SCHEMBL153228

Weitere Namen anzeigen

1021065-Bromo-2-cyano-4-methyL2-Cyano-4-methyl-5-bromopyridine5-Bromo-4-methyl-2-cyanopyridine2-CYANO-5-BROMO-4-METHYL PYRIDINE2-Pyridinecarbonitrile, 5-bromo-4-methyl-

JAQLBGDFALXUMV-UHFFFAOYSA-NAKOS006286089AB41150CS-W019687FS-3207SY065579DB-078045F079169

Datenbank-Bezeichner

CAS: 886364-86-9
PubChem CID: 53395468
DTXSID: DTXSID10694156
EC Number: 691-626-9

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2
Polarare Oberfläche (TPSA): 36,7 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 160

Physikochemische Eigenschaften

Siedepunkt: 293.3 · 293.3±35.0 °C(Predicted)
Dichte: 1.61 · 1.61±0.1 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: -2.02 · -2.02±0.18(Predicted)
Aggregatzustand: powder
Farbe: grey
InChI: InChI=1S/C7H5BrN2/c1-5-2-6(3-9)10-4-7(5)8/h2,4H,1H3
InChIKey: JAQLBGDFALXUMV-UHFFFAOYSA-N
SMILES: C1(C#N)=NC=C(Br)C(C)=C1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H301 (97.4%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (97.4%): 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+P316, 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 39 reports by companies from 2 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.