6-(Bromomethyl)pyridine-3-carbonitrile

HCID 21927776

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Grundinformationen

CAS: 158626-15-4
Standard-SMILES: N#Cc1ccc(CBr)nc1
InChIKey: QWCGOMIAXFNYIV-UHFFFAOYSA-N
Summenformel: C7H5BrN2
Durchschnittliche Molmasse: 197,03 g/mol
Monoisotopische Masse: 195,96361

Namen und Bezeichner

Bevorzugter Name: 6-(Bromomethyl)pyridine-3-carbonitrile
IUPAC: 6-(bromomethyl)pyridine-3-carbonitrile
Englischer Name: 6-Bromomethyl-nicotinonitrile
Summenformel: C7H5BrN2
Molmasse: 197.03

Namen und Synonyme

158626-15-46-(bromomethyl)pyridine-3-carbonitrileDTXSID80620240RefChem:306741DTXCID40570994822-482-96-(Bromomethyl)nicotinonitrile6-Bromomethyl-nicotinonitrile2-(BROMOMETHYL)-5-CYANOPYRIDINEMFCD112271906-Bromomethylnicotinonitrile3-Pyridinecarbonitrile, 6-(bromomethyl)-

Weitere Namen anzeigen

6-Bromomethy1-micotinonitrile6-Bromomethyl-nicotinonitrile ISO 9001：2015 REACH

2-(Bromomethyl)pyridine-5-carbonitrile2-bromomethyl-5-cyanopyridineSB21399EN300-117731FT-0682748A883409SCHEMBL507552SCHEMBL30966731

Datenbank-Bezeichner

CAS: 158626-15-4
PubChem CID: 21927776
DTXSID: DTXSID80620240
EC Number: 822-482-9

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,2
Polarare Oberfläche (TPSA): 36,7 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 149

Physikochemische Eigenschaften

Siedepunkt: 286.5 · 286.5±30.0 °C(Predicted)
Dichte: 1.6 · 1.60±0.1 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 0 · 0.00±0.22(Predicted)
Aggregatzustand: solid
Farbe: Red

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.