Skip to the beginning of the images gallery

1,4-Butylenediphosphonic Acid - 98%, high purity , CAS No.4671-77-6

COA

Grade & Purity:

≥98%

Cas Number: 4671-77-6
Molecular Weight: 218.08
MDL number: MFCD01631212
PubChem CID: 437082
PubChem SID: 488189732

In stock

Item Number

B153208

Grouped product items
SKU	Size	Availability	Price
B153208-100mg	100mg	3	$26.90
B153208-250mg	250mg	4	$50.90
B153208-1g	1g	2	$154.90
B153208-5g	5g	2	$696.90

View related series

Amino PEG (422) Antibody Drug Conjugates (ADC) (25) Element classified compounds (2014) Non-PEG linker (187) PEG Phosphonate (90) Phosphonic acids (146) PROTAC (2077) PROTAC linker (720) PROTAC Linkers (1898)

Basic Description

Synonyms	SCHEMBL20235 \| Butane-1,4-diyldiphosphonic acid \| HY-W075674 \| 1,4-Butylenediphosphonic Acid \| 4-phosphonobutylphosphonic acid \| B4848 \| tetramethylene phosphonic acid \| 1,4-Butanebisphosphonic acid \| 1,4-butanediphosphonic acid \| YSCH0185 \| 1,4-BUTANEDIP
Specifications & Purity	≥98%
Storage Temp	Argon charged
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Organic phosphonic acids and derivatives
    - Subclass Organic phosphonic acids

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Organic phosphonic acids and derivatives
Subclass	Organic phosphonic acids
Intermediate Tree Nodes	Not available
Direct Parent	Organic phosphonic acids
Alternative Parents	Organopnictogen compounds Organophosphorus compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Organophosphonic acid - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as organic phosphonic acids. These are organic compounds containing phosphonic acid.
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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	488189732
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488189732
IUPAC Name	4-phosphonobutylphosphonic acid
INCHI	InChI=1S/C4H12O6P2/c5-11(6,7)3-1-2-4-12(8,9)10/h1-4H2,(H2,5,6,7)(H2,8,9,10)
InChIKey	JKTORXLUQLQJCM-UHFFFAOYSA-N
Smiles	C(CCP(=O)(O)O)CP(=O)(O)O
Isomeric SMILES	C(CCP(=O)(O)O)CP(=O)(O)O
Molecular Weight	218.08
Reaxy-Rn	1785534
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1785534&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

7 results found

Lot Number	Certificate Type	Date	Item
C2513289	Certificate of Analysis	Sep 07, 2022	B153208
L2203260	Certificate of Analysis	Sep 07, 2022	B153208
L2203246	Certificate of Analysis	Sep 07, 2022	B153208
L2203245	Certificate of Analysis	Sep 07, 2022	B153208
L2203262	Certificate of Analysis	Sep 07, 2022	B153208
L2203244	Certificate of Analysis	Sep 07, 2022	B153208
L2203247	Certificate of Analysis	Sep 07, 2022	B153208

Chemical and Physical Properties

Sensitivity	Moisture sensitive.
Melt Point(°C)	221 °C
Molecular Weight	218.080 g/mol
XLogP3	-2.700
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	218.011 Da
Monoisotopic Mass	218.011 Da
Topological Polar Surface Area	115.000 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	190.000
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

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration