CAS 18206-06-9 2,6-Dimethylpyridine-4-carbaldehyde (HCID 2763004)

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Basic information

CAS: 18206-06-9
Standard SMILES: Cc1cc(C=O)cc(C)n1
InChIKey: OFIMNDTVWZPKIN-UHFFFAOYSA-N
Molecular formula: C8H9NO
Average molar mass: 135.16 g/mol
Monoisotopic mass: 135.06841391

Names & identifiers

Preferred name: 2,6-Dimethylpyridine-4-carbaldehyde
IUPAC: 2,6-dimethylpyridine-4-carbaldehyde
English name: 2,6-Dimethylpyridine-4-carboxaldehyde
Molecular formula: C8H9NO
Molecular weight: 135.16

Names & synonyms

2,6-dimethylpyridine-4-carbaldehydeRefChem:445756855-219-12,6-Dimethylisonicotinaldehyde18206-06-92,6-Dimethylpyridine-4-carboxaldehydeMFCD064106874-Pyridinecarboxaldehyde, 2,6-dimethyl-2,6-dimethyl-4-pyridinecarboxaldehydeSCHEMBL378339SCHEMBL7956972SCHEMBL27488980

Show more names

DTXSID403766556-diMethylpyridine-4-carbaldehydeOFIMNDTVWZPKIN-UHFFFAOYSA-N2,6-Dimethylpyridin-4-carbaldehydeTAA206062,6-dimethyl4-pyridinecarboxaldehyde2,6-dimethyl-pyridine-4-carbaldehydeAKOS006294576

Database identifiers

CAS: 18206-06-9
PubChem CID: 2763004
DTXSID: DTXSID40376655
EC Number: 855-219-1

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 30 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 114

Physicochemical properties

Melting point: 8 ℃ · 8℃
Boiling point: 218 ℃ · 218℃
Density: 1.065 · 1.065
refractive index: 1.5282 · 1.5282
Flash point: 91 ℃ · 91℃
storage temp.: 2 · 2-8°C, stored under nitrogen
pka: 4.69 · 4.69±0.10(Predicted)
Appearance: Colorless to light yellow Liquid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 280 · P280-P305+P351+P338
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): 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)

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