Dksh

CAS 10226-30-9

Chemistry, 5 End Use API, 2 Related Intermediates

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Also known as: 6-chloro-2-hexanone, 10226-30-9, 1-chloro-5-hexanone, 2-hexanone, 6-chloro-, 4-chlorobutyl methyl ketone, 1-chlorohexan-5-one

Molecular Formula

C₆H₁₁ClO

Molecular Weight

134.60 g/mol

InChI Key

CMDIDTNMHQUVPE-UHFFFAOYSA-N

1 2D Structure

CAS 10226-30-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

6-chlorohexan-2-one

2.1.2 InChI

InChI=1S/C6H11ClO/c1-6(8)4-2-3-5-7/h2-5H2,1H3

2.1.3 InChI Key

CMDIDTNMHQUVPE-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(=O)CCCCCl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 6-chloro-2-hexanone

2. 10226-30-9

3. 1-chloro-5-hexanone

4. 2-hexanone, 6-chloro-

5. 4-chlorobutyl Methyl Ketone

6. 1-chlorohexan-5-one

7. Einecs 233-546-5

8. Mfcd00191625

9. 1-chloro-hexan-5-one

10. 6-chloro-hexan-2-one

11. 6-chloro-2-hexanone, 97%

12. Schembl1115670

13. Dtxsid50144847

14. Albb-025821

15. Zinc2556912

16. Akos000121117

17. Am90172

18. Cs-w013363

19. As-57600

20. Ft-0607634

21. D89394

22. 226c309

23. A800551

24. A1-01703

25. W-108879

2.3 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₆H₁₁ClO
Molecular Weight	134.60 g/mol
XLogP3	1.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	134.0498427 g/mol
Monoisotopic Mass	134.0498427 g/mol
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	70.9
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

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CAS Number

10226-30-9

Intermediate Name

DKSH, founded with the goal of improving people's lives, assists businesses with market expansion and bus...

DKSH, founded with the goal of improving people's lives, assists businesses with market expansion and business growth in both existing and emerging markets. It has been fostering growth for businesses in Asia and beyond for over 155 years. DKSH operates in 36 markets, is listed on the SIX Swiss Exchange, employs 33,100 specialists, and generated net sales of CHF 11.1 billion in 2021. It is the leading global distributor of innovative pharma ingredients for pharmaceutical synthesis and formulation. It offers a range of products, ranging from animal care products to packaging materials, intermediates to nutraceuticals, and APIs to excipients.