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9,9-Dimethyl-4,5-bis(di-tert-butylphosphino)xanthene - ≥97%, high purity , CAS No.856405-77-1

1 Citations

COA

Grade & Purity:

≥97%

Cas Number: 856405-77-1
Molecular Weight: 498.66
MDL number: MFCD07781995
PubChem CID: 16218202
PubChem SID: 488199293

In stock

Item Number

D139344

Grouped product items
SKU	Size	Availability	Price
D139344-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$29.90
D139344-250mg	250mg	5	$55.90
D139344-500mg	500mg	2	$89.90
D139344-1g	1g	1	$149.90
D139344-5g	5g	1	$479.90

Basic Description

Synonyms	9,9-DIMETHYL-4,5-BIS(DI-T-BUTYLPHOSPHINO)XANTHENE \| SC11340 \| 9,9-Dimethyl-4,5-bis(di-tert-butylphosphino)xanthene, 97% \| DI-TERT-BUTYL[5-(DI-TERT-BUTYLPHOSPHANYL)-9,9-DIMETHYL-9H-XANTHEN-4-YL]PHOSPHANE \| EN300-7358813 \| 9,9-DiMethyl-4,5-bis(di-t-butylpho
Specifications & Purity	≥97%
Storage Temp	Argon charged
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzopyrans
    - Subclass 1-benzopyrans
      - Level5 Dibenzopyrans
        Level6 Xanthenes

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzopyrans
Subclass	1-benzopyrans
Intermediate Tree Nodes	Dibenzopyrans
Direct Parent	Xanthenes
Alternative Parents	Diarylethers Benzenoids Organic phosphines and derivatives Oxacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Xanthene - Diaryl ether - Benzenoid - Phosphine - Oxacycle - Ether - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene rings joined to each other by a pyran ring.
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	488199293
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488199293
IUPAC Name	ditert-butyl-(5-ditert-butylphosphanyl-9,9-dimethylxanthen-4-yl)phosphane
INCHI	InChI=1S/C31H48OP2/c1-27(2,3)33(28(4,5)6)23-19-15-17-21-25(23)32-26-22(31(21,13)14)18-16-20-24(26)34(29(7,8)9)30(10,11)12/h15-20H,1-14H3
InChIKey	ZEIZANJFJXHMNS-UHFFFAOYSA-N
Smiles	CC1(C2=C(C(=CC=C2)P(C(C)(C)C)C(C)(C)C)OC3=C1C=CC=C3P(C(C)(C)C)C(C)(C)C)C
Isomeric SMILES	CC1(C2=C(C(=CC=C2)P(C(C)(C)C)C(C)(C)C)OC3=C1C=CC=C3P(C(C)(C)C)C(C)(C)C)C
WGK Germany	3
Molecular Weight	498.66
Reaxy-Rn	10034928
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10034928&ln=

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

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

Analytical Chart:

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10 results found

Lot Number	Certificate Type	Date	Item
H1926180	Certificate of Analysis	Jan 20, 2025	D139344
I2419403	Certificate of Analysis	Sep 06, 2024	D139344
I2419462	Certificate of Analysis	Sep 06, 2024	D139344
I2419469	Certificate of Analysis	Sep 06, 2024	D139344
I2419399	Certificate of Analysis	Sep 06, 2024	D139344
I2419404	Certificate of Analysis	Sep 06, 2024	D139344
K2412555	Certificate of Analysis	Apr 12, 2024	D139344
K2412556	Certificate of Analysis	Apr 12, 2024	D139344
L22071251	Certificate of Analysis	Dec 15, 2022	D139344
L2207227	Certificate of Analysis	Dec 15, 2022	D139344

Chemical and Physical Properties

Melt Point(°C)	153-157°C
Molecular Weight	498.700 g/mol
XLogP3	7.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	6
Exact Mass	498.318 Da
Monoisotopic Mass	498.318 Da
Topological Polar Surface Area	9.200 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	613.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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

Citations of This Product

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