CAS 85116-37-6

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Also known as: 85116-37-6, (-)-diisopinocampheyl chloroborane, (-)-dip chloride, (-)-dip-chloride (~60per cent in heptane), (-)-b-chlorodiisopinocampheylborane (60% in hexane, ca. 1.7mol/l), Chloro-bis[(1r,2s,3r,5r)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]borane

Molecular Formula

C₂₀H₃₄BCl

Molecular Weight

320.7 g/mol

InChI Key

PSEHHVRCDVOTID-VMAIWCPRSA-N

1 2D Structure

CAS 85116-37-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

chloro-bis[(1R,2S,3R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]borane

2.1.2 InChI

InChI=1S/C20H34BCl/c1-11-15-7-13(19(15,3)4)9-17(11)21(22)18-10-14-8-16(12(18)2)20(14,5)6/h11-18H,7-10H2,1-6H3/t11-,12-,13+,14+,15-,16-,17-,18-/m1/s1

2.1.3 InChI Key

PSEHHVRCDVOTID-VMAIWCPRSA-N

2.1.4 Canonical SMILES

B(C1CC2CC(C1C)C2(C)C)(C3CC4CC(C3C)C4(C)C)Cl

2.1.5 Isomeric SMILES

B([C@@H]1C[C@@H]2C[C@H]([C@H]1C)C2(C)C)([C@@H]3C[C@@H]4C[C@H]([C@H]3C)C4(C)C)Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 85116-37-6

2. (-)-diisopinocampheyl Chloroborane

3. (-)-dip Chloride

4. (-)-dip-chloride (~60per Cent In Heptane)

5. (-)-b-chlorodiisopinocampheylborane (60% In Hexane, Ca. 1.7mol/l)

6. Chloro-bis[(1r,2s,3r,5r)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]borane

7. Chlorobis((1r,2s,3r,5r)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-yl)borane

8. (-)-ipc2bcl

9. Ipc2bcl

10. (-)-b-chlorodiisopinocampheylborane (55-65% In Heptane, Ca. 1.7mol/l)

11. Mfcd00074807

12. Chlorodiisopinocampheylborane

13. (-)-dip-chloride(tm)

14. Schembl4878768

15. (-)-b-chlorodiisopino-campheylborane

16. Akos025149316

17. Zinc169999265

18. Cs-w009420

19. Bis[(1r,2s,3r,5r)-3-pinanyl]chloroborane

20. F12961

21. 116d376

22. A905114

23. Q-101080

24. (-)-b-chlorodiisopinocamphenylborane (60% In N-heptane)

25. (-)-dip-chloride(tm) Solution, 50-65 Wt. % In Heptane

26. (-)-dip-chloride(tm) Solution, 50-65 Wt. % In Hexanes

27. (-)-dip-chloride(tm) Solution, 65-75 Wt. % In Alpha-pinene

28. Chlorobis[(1r,2s,3r,5r)-2,6,6-trimethylbicyclo[3.1.1]hept-3-yl]borane

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₃₄BCl
Molecular Weight	320.7 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	2
Exact Mass	320.2442089 g/mol
Monoisotopic Mass	320.2442089 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	428
Isotope Atom Count	0
Defined Atom Stereocenter Count	8
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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