CAS 100-59-4

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, 6 Related Intermediates

1 Suppliers
1 End Use APIs
6 Related Intermediates

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: 100-59-4, Magnesium, chlorophenyl-, Chlorophenylmagnesium, Mfcd00000464, Phenyl magnesium chloride, Phenylmagnesium chloride, 1.0 m in 2-methf

Molecular Formula

C₆H₅ClMg

Molecular Weight

136.86 g/mol

InChI Key

IWCVDCOJSPWGRW-UHFFFAOYSA-M

1 2D Structure

CAS 100-59-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

magnesium;benzene;chloride

2.1.2 InChI

InChI=1S/C6H5.ClH.Mg/c1-2-4-6-5-3-1;;/h1-5H;1H;/q-1;;+2/p-1

2.1.3 InChI Key

IWCVDCOJSPWGRW-UHFFFAOYSA-M

2.1.4 Canonical SMILES

C1=CC=[C-]C=C1.[Mg+2].[Cl-]

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 100-59-4

2. Magnesium, Chlorophenyl-

3. Chlorophenylmagnesium

4. Mfcd00000464

5. Phenyl Magnesium Chloride

6. Phenylmagnesium Chloride, 1.0 M In 2-methf

7. Phenylmagnesiumchloride

8. Phenyl-magnesium Chloride

9. Phmgcl

10. Unii-739y484f5h

11. Hsdb 5336

12. Einecs 202-868-8

13. Phenylmagnesiu

14. Chloro(phenyl)magnesium

15. Ec 202-868-8

16. Schembl1486

17. Dtxsid8059215

18. Chebi:51490

19. Gqonlaszrvfghi-uhfffaoysa-m

20. Akos009159060

21. 739y484f5h

22. Phenylmagnesium Chloride, 2-3m In Thf

23. Phenylmagnesium Chloride, 1.0 M In Thf

24. F20531

25. J-802275

2.3 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₆H₅ClMg
Molecular Weight	136.86 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	0
Heavy Atom Count	8
Formal Charge	0
Complexity	100
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	3