2-Ethoxypyridine-3-carboxylic acid
Basic information
- CAS
35969-54-1- Standard SMILES
CCOc1ncccc1C(=O)O- InChIKey
XCMJQQOMGWGGSI-UHFFFAOYSA-N- Molecular formula
- C8H9NO3
- Average molar mass
- 167.16 g/mol
- Monoisotopic mass
- 167.05824315
Names & identifiers
- Preferred name
- 2-Ethoxypyridine-3-carboxylic acid
- IUPAC
- 2-ethoxypyridine-3-carboxylic acid
- English name
- 2-Ethoxynicotinic acid
- Molecular formula
- C8H9NO3
- Molecular weight
- 167.16
Names & synonyms
2-Ethoxypyridine-3-carboxylic acidRefChem:471684640-136-32-Ethoxynicotinic Acid35969-54-12-Ethoxy-nicotinic acidMFCD001287883-PYRIDINECARBOXYLIC ACID, 2-ETHOXY-2-ETHOXYNICOTINICACIDo-Ethoxynicotinic acid2-Ethoxy nicotinic acid2-Ethoxynicotinic acid 98%
Show more names
ASINEX-REAG BAS 003943092-ETHOXY-NICOTINIC ACID >98%2-ethoxy-3-pyridinecarboxylate2-Ethoxy-3-pyridinecarboxylic acid
SCHEMBL123523RARECHEM AH CK 0100TIMTEC-BB SBB005439DTXSID10371293XCMJQQOMGWGGSI-UHFFFAOYSA-NHMS1697M22KBA96954BBL000650
Database identifiers
- CAS
35969-54-1- PubChem CID
- 2736345
- DTXSID
DTXSID10371293- EC Number
- 640-136-3
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 160
Physicochemical properties
- Melting point
- 90 · 90-92
- Boiling point
- 297 ℃ · 297℃
- Density
- 1.231 · 1.231
- Flash point
- 133 ℃ · 133℃
- storage temp.
- Inert atmosphere,Room Temperature
- form
- solid
- pka
- 3.56 · 3.56±0.22(Predicted)
- color
- White
- CAS DataBase Reference
- 35969 · 35969-54-1(CAS DataBase Reference)
- 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
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- HazardClass
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (12.5%): 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 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (12.5%)
Safety data
- hs_code
- 2933399990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Upstream & downstream products
Downstream products
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Related reactions
9 records
Compound notes
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