2-(4-Iodo-3-methyl-1H-pyrazol-1-yl)acetonitrile
Basic information
- CAS
1354704-12-3- Standard SMILES
Cc1nn(CC#N)cc1I- InChIKey
AKHJHIQSUJBNQY-UHFFFAOYSA-N- Molecular formula
- C6H6IN3
- Average molar mass
- 247.04 g/mol
- Monoisotopic mass
- 246.96064
Names & identifiers
- Preferred name
- 2-(4-Iodo-3-methyl-1H-pyrazol-1-yl)acetonitrile
- IUPAC
- 2-(4-iodo-3-methylpyrazol-1-yl)acetonitrile
- English name
- (4-Iodo-3-methyl-pyrazol-1-yl)-acetonitrile
- Molecular formula
- C6H6IN3
- Molecular weight
- 247.04
Names & synonyms
1354704-12-32-(4-Iodo-3-methyl-1H-pyrazol-1-yl)acetonitrile(4-Iodo-3-methyl-pyrazol-1-yl)-acetonitrile(4-iodo-3-methyl-1H-pyrazol-1-yl)acetonitrileMFCD245395262-(4-iodo-3-methylpyrazolyl)ethanenitrile2-(4-iodo-3-methylpyrazol-1-yl)acetonitrileDTXSID001258216EEC70412SBB074004AKOS015920845CS-0241412
Show more names
1H-Pyrazole-1-acetonitrile, 4-iodo-3-methyl-2-(4-iodo-3-methyl-pyrazol-1-yl)acetonitrileEN300-232751
Database identifiers
- CAS
1354704-12-3- PubChem CID
- 60136638
- DTXSID
DTXSID001258216
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
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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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