5-(Bromomethyl)pyridine-2-carbonitrile

HCID 21927727

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Grundinformationen

CAS: 308846-06-2
Standard-SMILES: N#Cc1ccc(CBr)cn1
InChIKey: VEPVNICICSNYPW-UHFFFAOYSA-N
Summenformel: C7H5BrN2
Durchschnittliche Molmasse: 197,03 g/mol
Monoisotopische Masse: 195,96361

Namen und Bezeichner

Bevorzugter Name: 5-(Bromomethyl)pyridine-2-carbonitrile
IUPAC: 5-(bromomethyl)pyridine-2-carbonitrile
Englischer Name: 2-Cyano-5-bromomethylpyridine
Summenformel: C7H5BrN2
Molmasse: 197.03

Namen und Synonyme

308846-06-25-(BROMOMETHYL)PYRIDINE-2-CARBONITRILEDTXSID90620236RefChem:300290DTXCID00570990688-421-15-(Bromomethyl)picolinonitrile2-Cyano-5-bromomethylpyridine2-Pyridinecarbonitrile, 5-(bromomethyl)-MFCD090378575-(bromomethyl)-2-pyridinecarbonitrile5-(Bromomethyl)-2-cyanopyridine

Weitere Namen anzeigen

2-Cyano-5-bromomethylpyridine ISO 9001：2015 REACH5-(Bromomethyl)-2-cyanopyridine, 5-(Bromomethyl)picolinonitrile

5-Bromomethylpyridine-2-carbonitrile5-Bromomethyl-pyridine-2-carbonitrileBC0035932-CYANO-5-BROMIDE-METHYL PYRIDINE6-Cyano-3-picolylbromide5-bromomethyl-2-cyanopyridineSCHEMBL507109VEPVNICICSNYPW-UHFFFAOYSA-N

Datenbank-Bezeichner

CAS: 308846-06-2
PubChem CID: 21927727
DTXSID: DTXSID90620236
EC Number: 688-421-1

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,5
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: 329.5 · 329.5±32.0 °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: -1.23 · -1.23±0.10(Predicted)
InChI: InChI=1S/C7H5BrN2/c8-3-6-1-2-7(4-9)10-5-6/h1-2,5H,3H2
InChIKey: VEPVNICICSNYPW-UHFFFAOYSA-N
SMILES: C1(C#N)=NC=C(CBr)C=C1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

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 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.