CAS 58997-10-7 Ethyl 3-methylpyridine-2-carboxylate (HCID 12243768)

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Basic information

CAS: 58997-10-7
Standard SMILES: CCOC(=O)c1ncccc1C
InChIKey: VKKVFRWNHZHHQU-UHFFFAOYSA-N
Molecular formula: C9H11NO2
Average molar mass: 165.19 g/mol
Monoisotopic mass: 165.07897859

Names & identifiers

Preferred name: Ethyl 3-methylpyridine-2-carboxylate
IUPAC: ethyl 3-methylpyridine-2-carboxylate
English name: ETHYL 3-METHYLPYRIDINE-2-CARBOXYLATE
Molecular formula: C9H11NO2
Molecular weight: 165.19

Names & synonyms

ETHYL 3-METHYLPYRIDINE-2-CARBOXYLATEETHYL 3-METHYL-2-PYRIDINECARBOXYLATERefChem:595036983-074-558997-10-7ethyl 3-methylpicolinateMFCD11616893Ethyl3-Methylpyridine-2-Carboxylate2-Pyridinecarboxylic acid, 3-methyl-, ethyl ester3-METHYL-2-PYRIDINECARBOXYLIC ACID ETHYL ESTERSCHEMBL108857SCHEMBL132318

Show more names

ETHYL 3-METHYLPYRIDINE-2-CARBOXYLATEhyl D-(-)-4-hydroxy-phenylglycinate

3-METHYL-PYRIDINE-2-CARBOXYLIC ACID ETHYL ESTERDTXSID70482096VKKVFRWNHZHHQU-UHFFFAOYSA-NAKOS011625752AB64448AC-23519CS-11273SY013318

Database identifiers

CAS: 58997-10-7
PubChem CID: 12243768
DTXSID: DTXSID70482096
EC Number: 983-074-5

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 39.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 159

Physicochemical properties

Boiling point: 258 ℃ · 258℃
Density: 1.077 · 1.077
Flash point: 110 ℃ · 110℃
storage temp.: Inert atmosphere,Room Temperature
form: liquid
pka: 2.33 · 2.33±0.10(Predicted)
color: Colourless
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

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)

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