Basic information
- CAS
1354705-15-9- Standard SMILES
CCc1c(I)cnn1C- InChIKey
XUJVSPFBCWWSLF-UHFFFAOYSA-N- Molecular formula
- C6H9IN2
- Average molar mass
- 236.05 g/mol
- Monoisotopic mass
- 235.98105
Names & identifiers
- Preferred name
- 5-Ethyl-4-iodo-1-methyl-1H-pyrazole
- IUPAC
- 5-ethyl-4-iodo-1-methylpyrazole
- English name
- 5-Ethyl-4-iodo-1-methyl-1H-pyrazole
- Molecular formula
- C6H9IN2
- Molecular weight
- 236.05
Names & synonyms
5-Ethyl-4-iodo-1-methyl-1H-pyrazole1354705-15-95-ethyl-4-iodo-1-methylpyrazoleSCHEMBL12806714SCHEMBL16911574DTXSID801285190MFCD24539522SBB073998AKOS0159208361H-Pyrazole, 5-ethyl-4-iodo-1-methyl-H74930
Database identifiers
- CAS
1354705-15-9- PubChem CID
- 60136633
- DTXSID
DTXSID801285190
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 97.1
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers7 total
安徽合诺生物科技有限公司0555-2761852
安徽合诺生物科技有限公司18455579438
南京代盟化工有限公司02566880956 · [email protected]
Xuzhou B&C Chemical Technology Co., Ltd+86-400-0516-021 +86-15190678838 · [email protected]
四川铂友生物科技有限公司（原四川佰朋）028-65791793 18140026355 · [email protected]
徐州博康化学科技股份有限公司051686297676 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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