CAS 26218-80-4 Methyl 6-methoxypyridine-3-carboxylate (HCID 586039)

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Basic information

CAS: 26218-80-4
Standard SMILES: COC(=O)c1ccc(OC)nc1
InChIKey: OVLDWZNVBDRZNN-UHFFFAOYSA-N
Molecular formula: C8H9NO3
Average molar mass: 167.16 g/mol
Monoisotopic mass: 167.05824315

Names & identifiers

Preferred name: Methyl 6-methoxypyridine-3-carboxylate
IUPAC: methyl 6-methoxypyridine-3-carboxylate
English name: Methyl 6-methoxynicotinate
Molecular formula: C8H9NO3
Molecular weight: 167.16

Names & synonyms

methyl 6-methoxypyridine-3-carboxylate3-PYRIDINECARBOXYLIC ACID, 6-METHOXY-, METHYL ESTERRefChem:817425607-886-3Methyl 6-methoxynicotinate26218-80-46-Methoxynicotinic acid methyl esterMethyl 2-methoxypyridine-5-carboxylateMFCD00674130METHYL 2-METHOXY-5-PYRIDINECARBOXYLATEmethyl-6-methoxynicotinatemethyl6-methoxy-nicotinate

Show more names

RARECHEM AL BF 08966-methoxynicotinateMethyl 6-methoxynicotiteMethyl 6-methoxynicotinat...Methyl6-methoxynicotinate,98%

methyl 6-methoxy-nicotinateSCHEMBL65277DTXSID30342940HMS1719D17SBB058538AKOS000121577CS-W005354PB33918

Database identifiers

CAS: 26218-80-4
PubChem CID: 586039
DTXSID: DTXSID30342940
EC Number: 607-886-3

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 48.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 160

Physicochemical properties

Melting point: 48 · 48-53°C
Boiling point: 93 °C · 93 °C(Press: 3 Torr)
Density: 1.156 · 1.156±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
form: crystalline solid
pka: 1.36 · 1.36±0.10(Predicted)
color: White to off-white to faint orange
CAS DataBase Reference: 26218 · 26218-80-4(CAS DataBase Reference)
NIST Chemistry Reference: 6 · 6-Hydroxynicotinic acid di-methyl derivative(26218-80-4)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi
Risk Statements: 20 · 20/21/22

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.