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4-Phosphonobutyric Acid - >98.0%(T), high purity , CAS No.4378-43-2

COA

Grade & Purity:

≥98%(T)

Cas Number: 4378-43-2
Molecular Weight: 168.08
MDL number: MFCD00041414
PubChem CID: 2773805

In stock

Item Number

P160740

Grouped product items
SKU	Size	Availability	Price
P160740-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$38.90
P160740-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$75.90
P160740-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$232.90

View related series

Element classified compounds (2014) Phosphonic acids (146)

Basic Description

Synonyms	T72478 \| butanoic acid, 4-phosphono- \| DTXSID70378723 \| EN300-7408374 \| FT-0619417 \| P2349 \| 4-Phosphonobutyric Acid, >/=98% \| SCHEMBL307497 \| 4-phosphonobutanoic Acid \| Z1255431129 \| MFCD00041414 \| CS-0210890 \| AKOS017344779 \| (3-Carboxypropyl)phosphonic
Specifications & Purity	≥98%(T)
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Fatty Acyls
    - Subclass Fatty acids and conjugates

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Fatty Acyls
Subclass	Fatty acids and conjugates
Intermediate Tree Nodes	Not available
Direct Parent	Fatty acids and conjugates
Alternative Parents	Organic phosphonic acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organophosphorus compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Fatty acid - Organophosphonic acid derivative - Organophosphonic acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as fatty acids and conjugates. These are aliphatic monocarboxylic acids with a saturated or unsaturated aliphatic tail (with at least 4 Carbon atoms).
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	4-phosphonobutanoic acid
INCHI	InChI=1S/C4H9O5P/c5-4(6)2-1-3-10(7,8)9/h1-3H2,(H,5,6)(H2,7,8,9)
InChIKey	UYRFPODVSLYSCO-UHFFFAOYSA-N
Smiles	C(CC(=O)O)CP(=O)(O)O
Isomeric SMILES	C(CC(=O)O)CP(=O)(O)O
PubChem CID	2773805
Molecular Weight	168.08
Reaxy-Rn	1771384

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

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

Analytical Chart:

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Lot Number	Certificate Type	Date	Item
K2420570	Certificate of Analysis	Apr 15, 2024	P160740

Chemical and Physical Properties

Melt Point(°C)	127 °C
Molecular Weight	168.080 g/mol
XLogP3	-1.700
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	168.019 Da
Monoisotopic Mass	168.019 Da
Topological Polar Surface Area	94.800 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	159.000
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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