CAS 6940-76-7|propane, 1-chloro-3-iodo-|1-chloro-3-iodopropane|1-Chloro-3-iodopropane|Trimethylene chloroiodide|1-氯-3-碘丙烷|1-Chloro-3-iodopropane

General Information

Structure

Molecular Formula

C₃H₆ClI

Molecular Mass

204.43721

Exact Mass

203.92027587

Charge

InChI

InChI=1S/C3H6ClI/c4-2-1-3-5/h1-3H2

InChIKey

SFOYQZYQTQDRIY-UHFFFAOYSA-N

Canonic Smiles

ClCCCI

Isomeric Smiles

ClCCCI

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.1762373

LogD (pH = 7.4)

2.1762373

Log P

2.1762373

Molar Refractivity

33.7532

Polarizability

13.359002

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

propane, 1-chloro-3-iodo-

IUPAC name

1-chloro-3-iodopropane

Synonyms

1-Chloro-3-iodopropaneTrimethylene chloroiodide1-氯-3-碘丙烷1-Chloro-3-iodopropane

Names and Identifiers

Registration numbers

CAS Number

MDL Number

EC Number

Beilstein Number

PubChem SID

PubChem CID

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

Apollo Scientific

OR2939

Stabilised with copper

MP Biomedicals

05203224

MP Biomedicals Rare Chemical collection

Sigma Aldrich

234478

Application
Conjugate addition of alkyl iodides to α,β-unsaturated nitriles in water.1
Packaging
25, 100 g in glass bottle

Molecule Details

References

PubChem Literature

From Data Sources

• Bifunctional alkylating agent in which the two halogens may be displaced successively with different nucleophiles. For use in the alkylation of diphenyl sulfide and cyclization to the cyclopropyl diphenyl sulfonium salt, see: Org. Synth. Coll., 6, 364 (1988).

References

Bioactivity

PubChem BioAssay

Bioactivity