Basic information
- CAS
14906-55-9- Standard SMILES
CCc1cc[n+]([O-])cc1- InChIKey
VFJRXOXKSUBBMR-UHFFFAOYSA-N- Molecular formula
- C7H9NO
- Average molar mass
- 123.15 g/mol
- Monoisotopic mass
- 123.06841391
Names & identifiers
- Preferred name
- Pyridine, 4-ethyl-, 1-oxide
- IUPAC
- 4-ethyl-1-oxidopyridin-1-ium
- English name
- 4-ethylpyridine 1-oxide
- Molecular formula
- C7H9NO
- Molecular weight
- 123.15
Names & synonyms
4-Ethylpyridine 1-oxide4-Ethylpyridine N-oxidePyridine, 4-ethyl-, 1-oxideEINECS 238-973-0RefChem:177591DTXCID2034831DTXSID8065826238-973-0VFJRXOXKSUBBMR-UHFFFAOYSA-N14906-55-94-Ethylpyridin-1-ium-1-olate4-ethyl-1-oxidopyridin-1-ium
Show more names
4-Ethylpyridine Oxide4-Ethylpyridine-1-oxideSJ32C57QGASCHEMBL1434203SCHEMBL5844197SCHEMBL14844485MFCD00160751AKOS006271607
Database identifiers
- CAS
14906-55-9- PubChem CID
- 84683
- DTXSID
DTXSID8065826- UNII
- SJ32C57QGA
- EC Number
- 238-973-0
- Nikkaji
- J101.116B
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 25.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 77
Physicochemical properties
- Melting point
- 100 · 100-120 °C
- Boiling point
- 155 °C · 155 °C(Press: 12 Torr)
- Density
- 0.99 · 0.99±0.1 g/cm3(Predicted)
- solubility
- soluble in Chloroform, Dichloromethane, DMSO, Methanol
- form
- Solid
- pka
- 1.3 · 1.30±0.10(Predicted)
- color
- White
- EPA Substance Registry System
- 4 · Pyridine, 4-ethyl-, 1-oxide (14906-55-9)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318-H302-H335-H315
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
- TSCA
- TSCA listed
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
This chemical does not meet GHS hazard criteria for 2.4% (1 of 41) of reports.
Danger
H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.6%)
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H318-H302-H335-H315
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPyridine, 4-ethyl-, 1-oxide: INACTIVE
Applications
Uses4-Ethylpyridine 1-Oxide (cas# 14906-55-9) is a compound useful in organic synthesis.
Upstream & downstream products
Downstream products
Suppliers12 total
武汉布林科技有限公司3456065315 13260619011 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
济南凯西生物科技有限公司13370511208 15853141736 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
Related reactions
2 records
Compound notes
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