CAS 29882-07-3

DRL offers a portfolio of products & services, including APIs, CMO services, generics, biosimilars & differentiated formulations.

Virtual Booth

Contact Supplier

Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

CHEMISTRY

Discover Molecule Insights

BUILDING BLOCK

1 Suppliers, 1 End Use APIs, 4 Related Intermediates

1 Suppliers
1 End Use APIs
4 Related Intermediates

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: 29882-07-3, 4-chlorobutanal dimethyl acetal, 4-chlorobutyraldehyde dimethyl acetal, 4-chlorobutanal dimethyl acetal 90%, 4-chlorobutanal dimethyl acetal 90per cent, Mfcd09032953

Molecular Formula

C₆H₁₃ClO₂

Molecular Weight

152.62 g/mol

InChI Key

LTLKJYMNUSSFAH-UHFFFAOYSA-N

1 2D Structure

CAS 29882-07-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-chloro-1,1-dimethoxybutane

2.1.2 InChI

InChI=1S/C6H13ClO2/c1-8-6(9-2)4-3-5-7/h6H,3-5H2,1-2H3

2.1.3 InChI Key

LTLKJYMNUSSFAH-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC(CCCCl)OC

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 29882-07-3

2. 4-chlorobutanal Dimethyl Acetal

3. 4-chlorobutyraldehyde Dimethyl Acetal

4. 4-chlorobutanal Dimethyl Acetal 90%

5. 4-chlorobutanal Dimethyl Acetal 90per Cent

6. Mfcd09032953

7. Einecs 249-924-8

8. 4-chloro Butanal Dimethyl Acetal

9. Butane, 4-chloro-1,1-dimethoxy-

10. 4-chlorobutanal Dimethylacetal

11. 1,1-dimethoxy-4-chlorobutane

12. Schembl1769976

13. Dtxsid30184004

14. Act03057

15. Amy10392

16. Zinc5997614

17. Akos006343270

18. Ac-2017

19. Cs-w008139

20. As-15841

21. Db-028827

22. 4-chloro Butyaldehyde Dimethyl Acetal

23. Ft-0638887

24. 882c073

25. Q-101939

26. 4-chloro-1,1-dimethoxybutane;4-chlorobutanal Dimethyl Acetal

27. 4-chloro-1,1-dimethoxybutane (4-chlorobutyraldehyde Dimethyl Acetal)

2.3 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₆H₁₃ClO₂
Molecular Weight	152.62 g/mol
XLogP3	1.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	152.0604073 g/mol
Monoisotopic Mass	152.0604073 g/mol
Topological Polar Surface Area	18.5 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	55
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1