1-ethyl-4-iodo-1H-pyrazole-5-carbonitrile
Basic information
- CAS
1354704-03-2- Standard SMILES
CCn1ncc(I)c1C#N- InChIKey
IKGJWCSHOYQQCK-UHFFFAOYSA-N- Molecular formula
- C6H6IN3
- Average molar mass
- 247.04 g/mol
- Monoisotopic mass
- 246.96064
Names & identifiers
- Preferred name
- 1-ethyl-4-iodo-1H-pyrazole-5-carbonitrile
- IUPAC
- 1-ethyl-4-iodopyrazole-5-carbonitrile
Names & synonyms
1-ethyl-4-iodo-1H-pyrazole-5-carbonitrile1354704-03-2RefChem:432538851-989-8MFCD245395232-ethyl-4-iodopyrazole-3-carbonitrile1-ethyl-4-iodopyrazole-5-carbonitrileEEC70403SBB074000STL415142AKOS0159208422-ethyl-4-iodo-pyrazole-3-carbonitrile
Show more names
CS-0241410EN300-232747
Database identifiers
- CAS
1354704-03-2- PubChem CID
- 60136634
- EC Number
- 851-989-8
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 162
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, 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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
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Related reactions
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Compound notes
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