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4-Hydroxymethyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane 1-oxide - ≥98%, high purity , CAS No.5301-78-0

COA

Grade & Purity:

≥98%

Cas Number: 5301-78-0
Molecular Weight: 180.1
MDL number: MFCD01677612
PubChem CID: 199942
PubChem SID: 488188599

In stock

Item Number

H138950

Grouped product items
SKU	Size	Availability	Price
H138950-1g	1g	5	$9.90
H138950-5g	5g	5	$39.90
H138950-25g	25g	4	$159.90
H138950-100g	100g	4	$499.90

View related series

alcohol (850) Non heterocyclic block (8163)

Basic Description

Synonyms	BRN 1951494 \| BCP05526 \| YASRHLDAFCMIPB-UHFFFAOYSA-N \| DTXSID20201057 \| 2,6,7-Trioxa-1-phosphabicyclo[2.2.2]octane-4-methanol 1-oxide \| 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane-4-methanol, 1-oxide \| Benzenesulfonamide,N-diethyl-4-methoxy- \| (1-Oxo-2,6,7
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Organic phosphoric acids and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Organic phosphoric acids and derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Organic phosphoric acids and derivatives
Alternative Parents	Oxacyclic compounds Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Organic phosphoric acid derivative - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as organic phosphoric acids and derivatives. These are organic compounds containing phosphoric acid or a derivative thereof.
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	488188599
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488188599
IUPAC Name	(1-oxo-2,6,7-trioxa-1λ5-phosphabicyclo[2.2.2]octan-4-yl)methanol
INCHI	InChI=1S/C5H9O5P/c6-1-5-2-8-11(7,9-3-5)10-4-5/h6H,1-4H2
InChIKey	YASRHLDAFCMIPB-UHFFFAOYSA-N
Smiles	C1C2(COP(=O)(O1)OC2)CO
Isomeric SMILES	C1C2(COP(=O)(O1)OC2)CO
Molecular Weight	180.1
Reaxy-Rn	1951494
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1951494&ln=

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

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

Analytical Chart:

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8 results found

Lot Number	Certificate Type	Date	Item
D2411287	Certificate of Analysis	Apr 17, 2024	H138950
D2411288	Certificate of Analysis	Apr 17, 2024	H138950
D2411289	Certificate of Analysis	Apr 17, 2024	H138950
D2411290	Certificate of Analysis	Apr 17, 2024	H138950
K2216662	Certificate of Analysis	Nov 26, 2022	H138950
K2216728	Certificate of Analysis	Nov 26, 2022	H138950
K2216727	Certificate of Analysis	Nov 26, 2022	H138950
K2216726	Certificate of Analysis	Nov 26, 2022	H138950

Chemical and Physical Properties

Melt Point(°C)	211 °C
Molecular Weight	180.100 g/mol
XLogP3	-1.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	180.019 Da
Monoisotopic Mass	180.019 Da
Topological Polar Surface Area	65.000 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	184.000
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

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