1-Chloro-4-iodobutane
Basic information
- CAS
10297-05-9- Standard SMILES
ClCCCCI- InChIKey
JXOSPTBRSOYXGC-UHFFFAOYSA-N- Molecular formula
- C4H8ClI
- Average molar mass
- 218.46 g/mol
- Monoisotopic mass
- 217.93593
Overview
1-Chloro-4-iodobutane is an organoiodine compound.
Names & identifiers
- Preferred name
- 1-Chloro-4-iodobutane
- IUPAC
- 1-chloro-4-iodobutane
- English name
- 1-Chloro-4-iodobutane
- Molecular formula
- C4H8ClI
- Molecular weight
- 218.46
Names & synonyms
1-Chloro-4-iodobutaneButane, 1-chloro-4-iodo-EINECS 233-669-4DTXSID9065029RefChem:75420DTXCID4032748233-669-4JXOSPTBRSOYXGC-UHFFFAOYSA-N10297-05-9Tetramethylene chloroiodide4-chlorobutyl iodide1-Iodo-4-chlorobutane
Show more names
1-chloro-4-iodo-butan4-Iodobutyl chloride, 4-Chlorobutyl iodide1-Chloro-4-iodobutane (stabilized with Copper chip)1-Chloro-4-iodobutane (stabilized with Copper chip)>
MFCD000394154-chloro-1-iodobutane1-Chloro-4-iodo-butaneC4H8ClI1-Chloro-4-iodobutane; 1-Iodo-4-chlorobutane; 4-Chloro-1-iodobutane;4-Iodobutyl Chloride1-chloro4-iodobutane4-iodo-1-chlorobutane
Database identifiers
- CAS
10297-05-9- PubChem CID
- 82527
- DTXSID
DTXSID9065029- ChEBI
CHEBI:189107- UNII
- 977ZE83TAE
- EC Number
- 233-669-4
- Nikkaji
- J236.752A
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 23.5
Physicochemical properties
- Melting point
- 93 °C · 93 °C
- Boiling point
- 88 · 88-89 °C/19 mmHg (lit.)
- Density
- 1.785 g/mL · 1.785 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.54(lit.)
- Flash point
- 200 °F · 200 °F
- storage temp.
- 2 · 2-8°C(protect from light)
- solubility
- Chloroform, Ethyl Acetate
- form
- Oil
- color
- Clear Colourless
- Specific Gravity
- 1.785 · 1.785
- Sensitive
- Light Sensitive
- BRN
- 1361365 · 1361365
- InChI
- 1S/C4H8ClI/c5-3-1-2-4-6/h1-4H2
- InChIKey
- JXOSPTBRSOYXGC-UHFFFAOYSA-N
- SMILES
- ClCCCCI
- CAS DataBase Reference
- 10297 · 10297-05-9(CAS DataBase Reference)
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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29031980
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationButane, 1-chloro-4-iodo-: INACTIVE
Applications
Uses1-Chloro-4-iodobutane acts as a reagent in the synthesis of alkyl chromones/quinolones via cyclization/alkylation of enaminones and as an intermediate in many pharmaceutical synthesis.
Uses1-Chloro-4-iodobutane may be used in the following studies:Preparation of 6-hendecenoic acid. Catalytic asymmetric synthesis of levobupivacaine.Synthesis of alkaloids such as deoxyvasicinone, mackinazolinone.
General Description1-Chloro-4-iodobutane is a halogenated hydrocarbon. It is an α,ω-dihaloalkane and undergoes electrogenerated Nickel(I) salen (N,N′-bis(salicylidene)ethylenediamine) catalyzed reduction to afford 1,8-dichlorooctane. Electrochemical reduction of 1-chloro-4-iodobutane at glassy carbon cathode has been investigated by cyclic voltammetry and controlled-potential electrolysis.
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: 1-Chloro-4-iodobutane is an organoiodine compound.
Related reactions
105 records
Compound notes
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