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(+)-B-Chlorodiisopinocampheylborane - 60% in Heptane,ca. 1.7mol/L, high purity , CAS No.112246-73-8

COA

Grade & Purity:

60% in Heptane,ca. 1.7mol/L

Cas Number: 112246-73-8
Molecular Weight: 320.75
MDL number: MFCD00074808
PubChem CID: 9923113

In stock

Item Number

C104776

Grouped product items
SKU	Size	Availability	Price
C104776-5ml	5ml	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$20.90
C104776-25ml	25ml	3	$78.90
C104776-100ml	100ml	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$241.90
C104776-500ml	500ml	1	$1,085.90

View related series

asymmetric synthesis (590) Reduction reaction (46)

Basic Description

Synonyms	AC-22730 \| chlorobis[(1S,2R,3S,5S)-2,6,6-trimethylbicyclo[3.1.1]hept-3-yl]borane \| SCHEMBL4864880 \| (+)-DIP-Chloride(TM), 90-105% (approx.) \| PSEHHVRCDVOTID-NAVXHOJHSA-N \| (+)-Ipc2BCl \| (+)-B-Chlorodiisopinocampheylborane \| (+)-b-chlorodiisopinocampheyl-b
Specifications & Purity	60% in Heptane,ca. 1.7mol/L
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Prenol lipids
    - Subclass Monoterpenoids

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Prenol lipids
Subclass	Monoterpenoids
Intermediate Tree Nodes	Not available
Direct Parent	Bicyclic monoterpenoids
Alternative Parents	Alkylhaloboranes Organic metalloid salts Dialkylboranes Hydrocarbon derivatives
Molecular Framework	Aliphatic homopolycyclic compounds
Substituents	Pinane monoterpenoid - Alkylhaloborane - Dialkylborane - Organic metalloid salt - Alkylborane - Hydrocarbon derivative - Organic metalloid moeity - Aliphatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	chloro-bis[(1S,2R,3S,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]borane
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-/m0/s1
InChIKey	PSEHHVRCDVOTID-NAVXHOJHSA-N
Smiles	B(C1CC2CC(C1C)C2(C)C)(C3CC4CC(C3C)C4(C)C)Cl
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
WGK Germany	3
UN Number	3261
Molecular Weight	320.75
Reaxy-Rn	9358455
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9358455&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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9 results found

Lot Number	Certificate Type	Date	Item
B2328534	Certificate of Analysis	Dec 16, 2024	C104776
K2419474	Certificate of Analysis	Apr 02, 2024	C104776
L2101291	Certificate of Analysis	Sep 18, 2023	C104776
L2101292	Certificate of Analysis	Sep 18, 2023	C104776
I2319186	Certificate of Analysis	Sep 01, 2023	C104776
I2319184	Certificate of Analysis	Sep 01, 2023	C104776
I2319185	Certificate of Analysis	Sep 01, 2023	C104776
H1915128	Certificate of Analysis	Mar 07, 2023	C104776
B2328535	Certificate of Analysis	Nov 25, 2022	C104776

Chemical and Physical Properties

Sensitivity	Moisture sensitive，air sensitive，heat sensitive
Specific Rotation[α]	+47.0 to +54.0 deg(Calcd. on Hexane solution)
Melt Point(°C)	53-55 °C (lit.)
Molecular Weight	320.700 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	2
Exact Mass	320.244 Da
Monoisotopic Mass	320.244 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	428.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	8
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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