CAS 35573-93-4|3-氯-1,1-二乙氧基丙烷|3-Chloro-1,1-diethoxypropane|3-氯丙醛二乙基乙缩醛|3-chloro-1,1-diethoxypropane|3-Chloropropionaldehyde diethylacetal|3-chloro-1,1-diethoxypropane|3-Chloroprional...

General Information

Structure

Molecular Formula

C₇H₁₅ClO₂

Molecular Mass

166.6458

Exact Mass

166.0760574

Charge

InChI

InChI=1S/C7H15ClO2/c1-3-9-7(5-6-8)10-4-2/h7H,3-6H2,1-2H3

InChIKey

NXHONHDWVLPPCS-UHFFFAOYSA-N

Canonic Smiles

ClCCC(OCC)OCC

Isomeric Smiles

CCOC(CCCl)OCC

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.0518608

LogD (pH = 7.4)

2.0518608

Log P

2.0518608

Molar Refractivity

42.0859

Polarizability

16.862951

Polar Surface Area

18.46

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

3-氯-1,1-二乙氧基丙烷3-Chloro-1,1-diethoxypropane3-氯丙醛二乙基乙缩醛3-Chloropropionaldehyde diethylacetal3-Chloroprionaldehyde Diethyl Acetal3-Chloropropanal Diethyl Acetalβ-Chloropropionaldehyde Diethyl Acetal3,3-Diethoxypropyl chloride1-Chloro-3,3-diethoxypropane3-Chloroprionaldehyde Diethyl Acetal, Technical gradeNSC 60136β-Chloropropanal Diethyl Acetal3-氯丙醛二乙基乙缩醛3-chloro-1,1-diethoxypropane3-Chloropropionaldehyde diethyl acetal

IUPAC name

3-chloro-1,1-diethoxypropane

IUPAC Traditional name

3-chloro-1,1-diethoxypropane

Names and Identifiers

Registration numbers

MDL Number

CAS Number

EC Number

Beilstein Number

PubChem SID

PubChem CID

Registration numbers

Properties

Product Information

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

Sigma Aldrich

C69004

Packaging
25 g in glass bottle

26130

Other Notes
Masked 3-chloropropionaldehyde; preparation of Grignard reagent1
Packaging
25, 100 mL in glass bottle

TRC

C379795

3-Chloroprionaldehyde Diethyl Acetal is an acetal acompound with safener activity against thiocarbamate herbicides.

Molecule Details

References

PubChem Literature

From Data Sources

• Ekler, Z. et al.: Zeitsch. Naturforsch. C J. Biosci., 46, 810 (1991)

• Lithiation using lithium naphthalenide gives 3,3-diethoxypropyllithium, a masked propanal homoenolate. For reaction with various electrophiles, see: J. Chem. Soc., Perkin 1, 3113 (1988).

References

Bioactivity

PubChem BioAssay

Bioactivity

Data Source

Commercial Catalog

Academic Data

Names and Identifiers

Synonyms

IUPAC name

3-chloro-1,1-diethoxypropane

IUPAC Traditional name

3-chloro-1,1-diethoxypropane

Registration numbers

MDL Number

CAS Number

EC Number

Beilstein Number

PubChem SID

PubChem CID

Molecule Details

C69004

Packaging
25 g in glass bottle

26130

Other Notes
Masked 3-chloropropionaldehyde; preparation of Grignard reagent1
Packaging
25, 100 mL in glass bottle

TRC

C379795

3-Chloroprionaldehyde Diethyl Acetal is an acetal acompound with safener activity against thiocarbamate herbicides.

References

PubChem Literature

From Data Sources

• Ekler, Z. et al.: Zeitsch. Naturforsch. C J. Biosci., 46, 810 (1991)

• Lithiation using lithium naphthalenide gives 3,3-diethoxypropyllithium, a masked propanal homoenolate. For reaction with various electrophiles, see: J. Chem. Soc., Perkin 1, 3113 (1988).

Bioactivity

PubChem BioAssay

Properties

Product Information

Molecule

ID:135449