1-Iodooctane

HCID 12380CAS 629-27-6
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCCCCCI
InChIKey
UWLHSHAHTBJTBA-UHFFFAOYSA-N
Molecular formula
C8H17I
Average molar mass
240.12 g/mol
Monoisotopic mass
240.03749854

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

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

Safety & regulation

GHS classification

GHS Classification · 4 items

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

Chemistry & industry

Pharmacology

Metabolism/Metabolites1-iodooctane has known human metabolites that include octyl-glutathione.

Uses & manufacturing

General Manufacturing InformationOctane, 1-iodo-: ACTIVE
Applications · 2 items

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

Suppliers50 total

三门峡奥科化工有限公司0398-3711988 13525866741 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
盐城通铭生物科技有限公司15195160625 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Related reactions

104 records
New reaction record

Linked notes

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1-Iodooctane (HCID 12380)｜Huagongshe