1-Chloro-4-iodobutane (HCID 82527)

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)>

C4H8ClIMFCD000394154-chloro-1-iodobutane1-Chloro-4-iodo-butane1-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 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 3
Heavy atoms: 6
Formal charge: 0
Complexity: 23

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)
EPA Substance Registry System: 1 · Butane, 1-chloro-4-iodo- (10297-05-9)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
TSCA: TSCA listed
HS Code: 29031980 · 29031980
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

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

Applications · 3 items

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.