2-Pyridinecarboxylic acid, 6-(hydroxymethyl)-, ethyl ester

HCID 10921141CAS 41337-81-9

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Basic information

Standard SMILES: CCOC(=O)c1cccc(CO)n1
InChIKey: CDFOARSBQKJGNL-UHFFFAOYSA-N
Molecular formula: C9H11NO3
Average molar mass: 181.19 g/mol
Monoisotopic mass: 181.07389321

Names & identifiers

Preferred name: 2-Pyridinecarboxylic acid, 6-(hydroxymethyl)-, ethyl ester
IUPAC: ethyl 6-(hydroxymethyl)pyridine-2-carboxylate
English name: 6-Hydroxymethyl-pyridine-2-carboxylic acid ethyl ester
Molecular formula: C9H11NO3
Molecular weight: 181.19

Names & synonyms

Ethyl 6-(hydroxymethyl)picolinate2-Pyridinecarboxylic acid, 6-(hydroxymethyl)-, ethyl esterRefChem:483398609-909-2691-859-641337-81-9Ethyl 6-(hydroxymethyl)pyridine-2-carboxylateMFCD097500096-HYDROXYMETHYL-PYRIDINE-2-CARBOXYLIC ACID ETHYL ESTERethyl 6-(hydroxymethyl)-2-pyridinecarboxylateSCHEMBL536661DTXSID00448367

Show more names

Ethyl 6-(hydroxymethyl)2-HYDROXYMETHYLPYRIDINE-6-CARBOXYLIC ACID EHTYL ESTER6-HYDROXYMETHYL-PYRIDINE-2-CARBOXYLIC ACID ETHYL ESTER ISO 9001：2015 REACH

CDFOARSBQKJGNL-UHFFFAOYSA-NSBB053815AKOS006326901SB53370SY065630TS-00205DB-070179ethyl 6-hydroxymethylpyridine-2-carboxylate

Database identifiers

CAS: 41337-81-9
PubChem CID: 10921141
DTXSID: DTXSID00448367
EC Number: 609-909-2、691-859-6

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 59.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 13
Formal charge: 0
Complexity: 172

Physicochemical properties

Boiling point: 337.1 · 337.1±32.0 °C(Predicted)
Density: 1.2 · 1.200±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 13.02 · 13.02±0.10(Predicted)
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Risk Statements: 20 · 20/21/22
Safety Statements: 24 · 24/25-36/37
HS Code: 29339900 · 29339900

Safety & regulation

GHS classification

GHS Classification · 3 items

This chemical does not meet GHS hazard criteria for 100% (11 of 11) of all reports.

Not Classified；Reported as not meeting GHS hazard criteria by 11 of 11 companies. For more detailed information, please visit ECHA C&L website.

Aggregated GHS information provided per 11 reports by companies from 1 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 11 of 11 reports by companies.；There are 0 notifications provided by 0 of 11 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesNot Classified

Safety data

hs_code: 29339900
risk_code: 20/21/22
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 24/25-36/37
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501