Basic information
- CAS
31294-91-4- Standard SMILES
CCCC(I)CC- InChIKey
QQKICFXKOIDMSQ-UHFFFAOYSA-N- Molecular formula
- C6H13I
- Average molar mass
- 212.07 g/mol
- Monoisotopic mass
- 212.0062
Names & identifiers
- Preferred name
- 3-Iodohexane
- IUPAC
- 3-iodohexane
- English name
- 3-Iodohexane
- Molecular formula
- C6H13I
- Molecular weight
- 212.07
Names & synonyms
3-Iodohexane31294-91-4Hexane, 3-iodo-RefChem:94462250-552-3EINECS 250-552-3QQKICFXKOIDMSQ-UHFFFAOYSA-N3-JodhexanSCHEMBL999926SCHEMBL1249545SCHEMBL2801680SCHEMBL2802381
Show more names
SCHEMBL7870347SCHEMBL7875953DTXSID30953333DB-048005NS00049411
Database identifiers
- CAS
31294-91-4- PubChem CID
- 33018
- DTXSID
DTXSID30953333- EC Number
- 250-552-3
- Nikkaji
- J105.179B
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
- 1.42 · 1.4200
- refractive index
- 1.49 · 1.4900
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers5 total
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [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
0 records
No reaction records under the current filter.
Compound notes
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