CAS 7254-34-4 2-Methoxypyridine-3-carbonitrile (HCID 252099)

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Basic information

CAS: 7254-34-4
Standard SMILES: COc1ncccc1C#N
InChIKey: IHWZCGMZILLKFD-UHFFFAOYSA-N
Molecular formula: C7H6N2O
Average molar mass: 134.14 g/mol
Monoisotopic mass: 134.04801281

Names & identifiers

Preferred name: 2-Methoxypyridine-3-carbonitrile
IUPAC: 2-methoxypyridine-3-carbonitrile
English name: 3-CYANO-2-METHOXYPYRIDINE
Molecular formula: C7H6N2O
Molecular weight: 134.14

Names & synonyms

2-methoxypyridine-3-carbonitrileRefChem:474685678-932-82-methoxynicotinonitrile7254-34-43-Cyano-2-methoxypyridine2-Methoxy-nicotinonitrileMFCD073638042-methoxy-3-cyanopyridineSCHEMBL5647192-METHOXY-3-PYRIDYL CYANIDE2-Methoxynicotinonitrile, AldrichCPR

Show more names

2-Methoxynicotinonitrile98%2-Methoxynicotinonitrile 98%3-Cyano-2-methoxypyridine 98%3-Cyano-2-Methoxypyridine, 97+%2-METHOXY-3-PYRIDINECARBONITRILE2-methoxynicotinonitrile(SALTDATA: FREE)

NSC 73298NSC-73298SY039103Z311316313-PYRIDINECARBONITRILE, 2-METHOXY-NSC73298AM804288NCIOpen2_000556

Database identifiers

CAS: 7254-34-4
PubChem CID: 252099
DTXSID: DTXSID30291126
EC Number: 678-932-8
Nikkaji: J613.831D

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 45.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 149

Physicochemical properties

Melting point: 58 · 58-62
Boiling point: 241 · 241.0±20.0 °C(Predicted)
Density: 1.16 · 1.16±0.1 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
form: solid
pka: -0.05 · -0.05±0.10(Predicted)
color: White
Water Solubility: Slightly soluble in water.
InChI: 1S/C7H6N2O/c1-10-7-6(5-8)3-2-4-9-7/h2-4H,1H3
InChIKey: IHWZCGMZILLKFD-UHFFFAOYSA-N
SMILES: COc1ncccc1C#N
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 6 · GHS06,GHS07
Signal word: Warning
Hazard statements: 301 · H301-H315-H319-H335-H302

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (85.7%): Harmful if swallowed [Warning Acute toxicity, oral]

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