Basic information
- CAS
83467-29-2- Standard SMILES
Cc1n[nH]c(C)c1CCI- InChIKey
HZTPPWBWEQKLTG-UHFFFAOYSA-N- Molecular formula
- C7H11IN2
- Average molar mass
- 250.08 g/mol
- Monoisotopic mass
- 249.9967
Names & identifiers
- Preferred name
- 3,5-Dimethyl-4-(2-iodoethyl)-1H-pyrazole
- IUPAC
- 4-(2-iodoethyl)-3,5-dimethyl-1H-pyrazole
- English name
- 3,5-Dimethyl-4-(2-iodoethyl)-1H-pyrazole
- Molecular formula
- C7H11IN2
- Molecular weight
- 250.08
Names & synonyms
83467-29-23,5-Dimethyl-4-(2-iodoethyl)-1H-pyrazoleDTXSID40408506RefChem:271915DTXCID503593584-(2-iodoethyl)-3,5-dimethyl-1H-pyrazoleAKOS003672808DB-075935CS-0116761AKOS PAO-07511H-Pyrazole,4-(2-iodoethyl)-3,5-dimethyl-3,5-DIMETHYL-4-(2-IODOOETHYL)-1H-PYRAZOLE
Database identifiers
- CAS
83467-29-2- PubChem CID
- 5116918
- DTXSID
DTXSID40408506
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 108
Physicochemical properties
- Melting point
- 132 · 132-133 °C
- Boiling point
- 337.2 · 337.2±30.0 °C(Predicted)
- Density
- 1.722 · 1.722±0.06 g/cm3(Predicted)
- pka
- 15.41 · 15.41±0.50(Predicted)
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2933199090 · 2933199090
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
- hs_code
- 2933199090
- hazard_code
- Xi
- hazard_note
- Irritant
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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