Basic information
- CAS
35363-12-3- Standard SMILES
CCc1c[n+]([O-])ccc1[N+](=O)[O-]- InChIKey
DFWFKLVRAXNFAN-UHFFFAOYSA-N- Molecular formula
- C7H8N2O3
- Average molar mass
- 168.15 g/mol
- Monoisotopic mass
- 168.05349212
Names & identifiers
- Preferred name
- Pyridine, 3-ethyl-4-nitro-, 1-oxide
- IUPAC
- 3-ethyl-4-nitro-1-oxidopyridin-1-ium
- English name
- 3-Ethyl-4-nitropyridine-1-oxide
- Molecular formula
- C7H8N2O3
- Molecular weight
- 168.15
Names & synonyms
3-Ethyl-4-nitropyridine 1-oxide35363-12-3Pyridine, 3-ethyl-4-nitro-, 1-oxideBRN 0151134DTXSID401888514-20-00-02761 (Beilstein Handbook Reference)RefChem:376735DTXCID001113423-ethyl-4-nitropyridin-1-ium-1-olate3-ethyl-4-nitro-1-oxidopyridin-1-ium3-ETHYL-4-NITROPYRIDINE-1-OXIDEPyridine,3-ethyl-4-nitro-, 1-oxide
Show more names
3-ethyl-4-nitropyridin-1-olSCHEMBL33418063-Ethyl-4-nitropyridine1-oxide4-nitro-3-ethylpyridine N-oxideKBA36312SBB088149AKOS006275228CS-0232128
Database identifiers
- CAS
35363-12-3- PubChem CID
- 147607
- DTXSID
DTXSID40188851- EC Number
- 184-062-5
- Nikkaji
- J85.676B
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 71.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 169
Physicochemical properties
- Boiling point
- 297.07 °C · 297.07°C (rough estimate)
- Density
- 1.3722 · 1.3722 (rough estimate)
- refractive index
- 1.52 · 1.5200 (estimate)
- pka
- -1.22 · -1.22±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P318, P319, P321, P330, P332+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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers10 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
环生美森医药技术（山东）有限公司0531-88762217 18301471076 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
济南精合医药科技有限公司0531-88811783 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466205 15377579727 · [email protected]
上海臻励生物科技有限公司021-16621358918; 18516310516;16621358918;13045646768 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466105 15377573527 · [email protected]
湖北偕丰医药科技有限公司2383948258 19172820304 · [email protected]
上海博拓生物科技有限公司16621358918 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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