1-Propyne, 3-iodo-
Basic information
- CAS
659-86-9- Standard SMILES
C#CCI- InChIKey
WGCICQJXVYFFCA-UHFFFAOYSA-N- Molecular formula
- C3H3I
- Average molar mass
- 165.96 g/mol
- Monoisotopic mass
- 165.92795
Names & identifiers
- Preferred name
- 1-Propyne, 3-iodo-
- IUPAC
- 3-iodoprop-1-yne
- English name
- Propargyl iodide
- Molecular formula
- C3H3I
- Molecular weight
- 165.96
Names & synonyms
Propargyl iodide1-Propyne, 3-iodo-659-86-9R52FDD2XKMNSC-87534DTXSID10216110RefChem:1057034DTXCID101386013-Iodo-1-propyne3-IodopropynePropyne, 3-iodo-NSC87534
Show more names
3-iodoprop-1-yne1-Iodo-2-propyne1-Propyne, 3-iodo- (9CI)
UNII-R52FDD2XKMSCHEMBL120790SCHEMBL155683SCHEMBL155685NSC 87534AKOS014114606
Database identifiers
- CAS
659-86-9- PubChem CID
- 136471
- DTXSID
DTXSID10216110- UNII
- R52FDD2XKM
- Nikkaji
- J100.279A
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 4
- Formal charge
- 0
- Complexity
- 38.5
Experimental & physicochemical properties
SpringerMaterials PropertiesSchoenflies notation
Physicochemical properties
- Boiling point
- 115.98 °C · 115.98°C (rough estimate)
- Density
- 2.058 · 2.0580 (rough estimate)
- refractive index
- 1.578 · 1.5780 (estimate)
- FDA UNII
- 52 FDD2XKM · R52FDD2XKM
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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