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Tri-sec-butylborane - 1.0 M in THF, high purity , CAS No.1113-78-6

COA

Grade & Purity:

1.0 M in THF

Cas Number: 1113-78-6
Molecular Weight: 182.15
MDL number: MFCD00009325
PubChem CID: 102559
PubChem SID: 504756526

In stock

Item Number

T140660

Grouped product items
SKU	Size	Availability	Price	Qty
T140660-25ml	25ml	3	$229.90
T140660-100ml	100ml	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$869.90

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Organoboron Compounds (1)

Basic Description

Synonyms	tri-sec-butylboron \| YUPAWYWJNZDARM-UHFFFAOYSA-N \| DTXSID30883646 \| tris(butan-2-yl)borane \| tri-sec butylborane \| AKOS015918439 \| tri-s-butylboron \| tri-s-butyl-borane \| EINECS 214-209-1 \| tri(butan-2-yl)borane
Specifications & Purity	1.0 M in THF
Shipped In	Normal
Product Description	Catalyst for: · Allylic alkylations for synthesis of unsaturated aldehydes and alcohols. · Cis-addition of carbon-hydrogen bonds of pyrroles and thiophenes to alkynes. · Borane-induced radical reduction of alkenyl and alkynyliodanes. · Initiating polymerization for synthesis of polymethylenes and ethylene-propylene. · Asymmetric synthesis of vinylglycidols. · Asymmetric addition of alcohols to vinyl epoxides.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organometallic compounds
  - Class Organometalloid compounds
    - Subclass Organoboron compounds
      - Level5 Alkylboranes
        Level6 Trialkylboranes

Kingdom	Organic compounds
Superclass	Organometallic compounds
Class	Organometalloid compounds
Subclass	Organoboron compounds
Intermediate Tree Nodes	Alkylboranes
Direct Parent	Trialkylboranes
Alternative Parents	Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Trialkylborane - Hydrocarbon derivative - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as trialkylboranes. These are organoboron compounds where the boron atom is substituted by only three alkyl groups.
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

Pubchem Sid	504756526
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504756526
IUPAC Name	tri(butan-2-yl)borane
INCHI	InChI=1S/C12H27B/c1-7-10(4)13(11(5)8-2)12(6)9-3/h10-12H,7-9H2,1-6H3
InChIKey	YUPAWYWJNZDARM-UHFFFAOYSA-N
Smiles	B(C(C)CC)(C(C)CC)C(C)CC
Isomeric SMILES	B(C(C)CC)(C(C)CC)C(C)CC
WGK Germany	1
PubChem CID	102559
UN Number	2056
Packing Group	II
Molecular Weight	182.15

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

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

Analytical Chart:

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5 results found

Lot Number	Certificate Type	Date	Item
F2202256	Certificate of Analysis	Mar 22, 2024	T140660
F2202255	Certificate of Analysis	Mar 22, 2024	T140660
K2113104	Certificate of Analysis	Aug 04, 2023	T140660
K2222386	Certificate of Analysis	Dec 08, 2022	T140660
L2010126	Certificate of Analysis	Sep 21, 2022	T140660

Chemical and Physical Properties

Molecular Weight	182.160 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	6
Exact Mass	182.221 Da
Monoisotopic Mass	182.221 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	98.500
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	3
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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