Basic information
- Standard SMILES
CCCCC(C)I- InChIKey
XCEDNORUDUKWGK-UHFFFAOYSA-N- Molecular formula
- C6H13I
- Average molar mass
- 212.07 g/mol
- Monoisotopic mass
- 212.00619842
Names & identifiers
- Preferred name
- 2-Iodohexane
- IUPAC
- 2-iodohexane
- English name
- 2-Iodohexane
- Molecular formula
- C6H13I
- Molecular weight
- 212.07
Names & synonyms
2-Iodohexane18589-27-0Hexane, 2-iodo-EINECS 242-428-2DTXSID80940011RefChem:87685DTXCID801368489242-428-2XCEDNORUDUKWGK-UHFFFAOYSA-Nsec-HEXYL IODIDESCHEMBL537515SCHEMBL2803261
Show more names
2-IODOHEXANE 96%SEC-HEXYL IODIDE 96%
SCHEMBL6784826SCHEMBL7870991SCHEMBL7871053DB-044573NS00052673
Database identifiers
- CAS
18589-27-0- PubChem CID
- 33019
- DTXSID
DTXSID80940011- EC Number
- 242-428-2
- Nikkaji
- J105.180F
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 35.2
Physicochemical properties
- Melting point
- -68.15 °C · -68.15°C (estimate)
- Boiling point
- 174.5 °C · 174.5°C (estimate)
- Density
- 1.4121 · 1.4121
- refractive index
- 1.4878 · 1.4878
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers4 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
烟台博运生物科技有限公司13793517650 13793517650 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
4 records
Linked notes
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