1-Ethyl-1H-pyrazole-3-carbonitrile
Basic information
- CAS
1006471-40-4- Standard SMILES
CCn1ccc(C#N)n1- InChIKey
HUECRBCJOIYWSB-UHFFFAOYSA-N- Molecular formula
- C6H7N3
- Average molar mass
- 121.14 g/mol
- Monoisotopic mass
- 121.06399724
Names & identifiers
- Preferred name
- 1-Ethyl-1H-pyrazole-3-carbonitrile
- IUPAC
- 1-ethylpyrazole-3-carbonitrile
- English name
- 1-ethyl-1H-pyrazole-3-carbonitrile(SALTDATA: FREE)
- Molecular formula
- C6H7N3
- Molecular weight
- 121.14
Names & synonyms
1-ethyl-1H-pyrazole-3-carbonitrile1006471-40-4DTXSID00599121RefChem:230212DTXCID20549880890-060-11-ethylpyrazole-3-carbonitrileMFCD049697011H-pyrazole-3-carbonitrile, 1-ethyl-SCHEMBL15096488ALBB-013984SBB021946
Show more names
1-ethyl-3-pyrazolecarbonitrile1-ethyl-1H-pyrazole-3-carbonitrile(SALTDATA: FREE)
AKOS000309991LS-04398DB-421584CS-0298456ST45133855EN300-229462H30567F312535
Database identifiers
- CAS
1006471-40-4- PubChem CID
- 19620692
- DTXSID
DTXSID00599121- EC Number
- 890-060-1
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 134
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H302+H312+H332-H319-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- 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+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H315-H302+H312+H332-H319-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Suppliers
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Related reactions
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Compound notes
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