Basic information
- CAS
6196-80-1- Standard SMILES
CC(C)CCCI- InChIKey
KHNRCDHEOHOYFY-UHFFFAOYSA-N- Molecular formula
- C6H13I
- Average molar mass
- 212.07 g/mol
- Monoisotopic mass
- 212.00619842
Names & identifiers
- Preferred name
- 1-Iodo-4-methylpentane
- IUPAC
- 1-iodo-4-methylpentane
- English name
- 1-Iodo-4-methylpentane
- Molecular formula
- C6H13I
- Molecular weight
- 212.07
Names & synonyms
1-iodo-4-methylpentane6196-80-1DTXSID00335844RefChem:1055646DTXCID502869331-iodo-4-methyl pentanePentane, 1-iodo-4-methylMFCD09039124IsohexyljodidPentane, 1-iodo-4-methyl-1-iodo-4-methyl-pentaneSCHEMBL179167
Show more names
1H-Pyrazole-5-carboxylicacid,3-(1,1-dimethylethyl)-5-(phenylmethyl)-1-IODO-4-METHYLPENTANE, 98%1-IODO-4-METHYLPENTANE, 98%1-IODO-4-METHYLPENTANE, 98%1-IODO-4-METHYLPENTANE, 98%
SCHEMBL78758634-METHYL-1-IODOPENTANESCHEMBL28380049AKOS017560846BS-52387DA-04354E83325F827530
Database identifiers
- CAS
6196-80-1- PubChem CID
- 527581
- DTXSID
DTXSID00335844- Nikkaji
- J1.138.184G
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
- 33.2
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Melting point
- -68.15 °C · -68.15°C (estimate)
- Boiling point
- 174.5 °C · 174.5°C (estimate)
- Density
- 1.4217 · 1.4217
- refractive index
- 1.4867 · 1.4867
Chemistry & industry
Suppliers12 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海马氏化学科技有限公司19916721580 · [email protected]
武汉德拜技术有限公司18086626237 18086626237 · [email protected]
山东宜仁药业有限公司531-87922518 15628888630 · [email protected]
南京合巨药业有限公司25-57027686 17372956142 · [email protected]
陕西爱施达尔生物科技有限公司18682931470; 18682931470 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
沈阳莫德医药科技有限公司024-23982345 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
菏泽书颖生物科技有限公司18553078733 · [email protected]
Related reactions
6 records
Compound notes
Loading…