1-Iodooctane
Basic information
- CAS
629-27-6- Standard SMILES
CCCCCCCCI- InChIKey
UWLHSHAHTBJTBA-UHFFFAOYSA-N- Molecular formula
- C8H17I
- Average molar mass
- 240.12 g/mol
- Monoisotopic mass
- 240.0375
Names & identifiers
- Preferred name
- 1-Iodooctane
- IUPAC
- 1-iodooctane
- English name
- 1-Iodooctane
- Molecular formula
- C8H17I
- Molecular weight
- 240.12
Names & synonyms
1-IODOOCTANEOctane, 1-iodo-EINECS 211-084-5BRN 16974794-01-00-00425 (Beilstein Handbook Reference)DTXSID4060868UWLHSHAHTBJTBA-UHFFFAOYSA-nOctyl iodide1Jodoktan1nOctyl iodide1Octyl iodideOctane, 1iodo
Show more names
1-Iodooctane98%1-Jodoktan1-Iodoctane2-IODOOCTANE1-iodo-octan1-Octyljodid1-octyliodide
RefChem:76103DTXCID3043570211-084-5InChI=1/C8H17I/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3UWLHSHAHTBJTBA-UHFFFAOYSA-N629-27-6n-Octyl iodideOctyl iodide
Database identifiers
- CAS
629-27-6- PubChem CID
- 12380
- DTXSID
DTXSID4060868- UNII
- KYU7KY3TKH
- EC Number
- 211-084-5
- Nikkaji
- J524J
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 6
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 43.8
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Halogenated Aliphatics, Saturated
SpringerMaterials PropertiesBoiling point
Physical DescriptionClear, light yellow liquid; [Aldrich MSDS]
Physicochemical properties
- Melting point
- -46 · -46--45 °C (lit.)
- Boiling point
- 225 · 225-226 °C (lit.)
- Density
- 1.33 g/mL · 1.33 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.4878(lit.)
- Flash point
- 203 °F · 203 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Liquid
- Specific Gravity
- 1.33 · 1.330
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 (97.9%): 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 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information1-Iodooctane: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryAn irritant; [Aldrich MSDS] See Propyl iodide and 1,3-Diiodopropane.
Hazard Classes and CategoriesSkin Irrit. 2 (97.9%)
Safety data
- F
- 8
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- RG9700100
- ridadr
- UN 2810 6.1/PG 3
- hs_code
- 29033990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
Chemistry & industry
Pharmacology
Metabolism/Metabolites1-iodooctane has known human metabolites that include octyl-glutathione.
Uses & manufacturing
General Manufacturing InformationOctane, 1-iodo-: ACTIVE
Applications
UsesAlkylation of [2,2-([2,2-bipyridine]-6,6-diyl)bis[phenolato]-N,N,O,O]nickel(II)was performed using the catalytic reduction of 1-iodooctane. Primary alkyl iodide 1-iodooctane reacts with lithium aluminum deuteride (LAD) in a 1:0.2 ratio to form 1-deuteriooctane.
General Description1-Iodooctane undergoes catalytic reduction by nickel (I) salen electrogenerated at a glassy carbon cathode in dimethylformamide. Radical mechanism of formation of monolayer on silicon ground in the presence of 1-iodooctane has been studied by X-ray photoelectron spectroscopy.
Upstream & downstream products
Upstream raw materials
Related reactions
104 records
Compound notes
Loading…