1-Iodooctadecane
Basic information
- CAS
629-93-6- Standard SMILES
CCCCCCCCCCCCCCCCCCI- InChIKey
ZNJOCVLVYVOUGB-UHFFFAOYSA-N- Molecular formula
- C18H37I
- Average molar mass
- 380.4 g/mol
- Monoisotopic mass
- 380.19399918
Names & identifiers
- Preferred name
- 1-Iodooctadecane
- IUPAC
- 1-iodooctadecane
- English name
- 1-Iodooctadecane
- Molecular formula
- C18H37I
- Molecular weight
- 380.39
Names & synonyms
1-IODOOCTADECANEOctadecane, 1-iodo-n-Octadecyl iodideNSC 5544EINECS 211-117-3DTXSID7060881Octadecane, 1iodoRefChem:76102DTXCID2043583211-117-3ZNJOCVLVYVOUGB-UHFFFAOYSA-N629-93-6
Show more names
IododecaneOtadecyl iodide1-iodo-octadecanIodooctadecane,98%OctadecylIodide>97%
Octadecyl iodideStearyl iodideiodooctadecaneMFCD00001090K8J7D7A7XGNSC-5544C18H37Ioctadecyliodide
Database identifiers
- CAS
629-93-6- PubChem CID
- 12402
- DTXSID
DTXSID7060881- UNII
- K8J7D7A7XG
- EC Number
- 211-117-3
- Nikkaji
- J526F
Properties
Computed structural properties
- XLogP
- 10.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 16
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 145
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Halogenated Aliphatics, Saturated
Physical DescriptionLight yellow paste; mp = 33-35 deg C; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 33 · 33-35 °C (lit.)
- Boiling point
- 194 · 194-197 °C/2 mmHg (lit.)
- Density
- 1.0959 · 1.0959 (rough estimate)
- refractive index
- 1.4762 · 1.4762 (estimate)
- Flash point
- 110 °C · 110 °C
- storage temp.
- RT, protect from light
- solubility
- within almost transparency in Toluene
- form
- powder to lump to clear liquid
- color
- White or Colorless to Light yellow
- BRN
- 1755880 · 1755880
- InChI
- InChI=1S/C18H37I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-18H2,1H3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- F
- 8-10
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29033990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationOctadecane, 1-iodo-: INACTIVE
Applications
UsesReagent for introduction of C18 chain.
Upstream & downstream products
Downstream products
Related reactions
33 records
Compound notes
Loading…