3-ethyl-1H-pyrazole
Basic information
- CAS
13808-71-4- Standard SMILES
CCc1ccn[nH]1- InChIKey
CBNLNXLAIMQSTR-UHFFFAOYSA-N- Molecular formula
- C5H8N2
- Average molar mass
- 96.13 g/mol
- Monoisotopic mass
- 96.06874826
Names & identifiers
- Preferred name
- 3-ethyl-1H-pyrazole
- IUPAC
- 5-ethyl-1H-pyrazole
- English name
- AKOS PAO-1148
- Molecular formula
- C5H8N2
- Molecular weight
- 96.13
Names & synonyms
3-ethyl-1H-pyrazole13808-71-4DTXSID70333312RefChem:279096DTXCID80284402815-249-85-ethyl-1H-pyrazole1H-Pyrazole, 3-ethyl-MFCD087011383-ethylpyrazole5-ethylpyrazole3-ethyl-2H-pyrazole
Show more names
pyrazole, 3(5)-ethyl-SCHEMBL5382SCHEMBL5383AKOS PAO-1148SCHEMBL241536SCHEMBL253076SCHEMBL294935SCHEMBL458780
Database identifiers
- CAS
13808-71-4- PubChem CID
- 498459
- DTXSID
DTXSID70333312- EC Number
- 815-249-8
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 54
Physicochemical properties
- Boiling point
- 90 °C · 90 °C(Press: 12 Torr)
- Density
- 0.9818 g/cm3 · 0.9818 g/cm3
- pka
- 14.56 · 14.56±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H335-H319-H315
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- HazardClass
- IRRITANT
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 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H335-H319-H315
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
2 records
Compound notes
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