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Tributylamine (dichloromethylene)bis(phosphonate) - ≥95%, high purity , CAS No.163706-61-4

COA

Grade & Purity:

≥95%

Cas Number: 163706-61-4
Molecular Weight: 430.2
MDL number: MFCD29916812
PubChem CID: 9932400

In stock

Item Number

T770223

Grouped product items
SKU	Size	Availability	Price
T770223-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$31.90
T770223-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$82.90
T770223-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$299.90
T770223-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,297.90

Basic Description

Specifications & Purity	≥95%
Storage Temp	Room temperature,Desiccated
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Organic phosphonic acids and derivatives
Subclass	Bisphosphonates
Intermediate Tree Nodes	Not available
Direct Parent	Bisphosphonates
Alternative Parents	Organic phosphonic acids Trialkylamines Organophosphorus compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework	Not available
Substituents	Bisphosphonate - Organophosphonic acid - Tertiary amine - Tertiary aliphatic amine - Alkyl chloride - Hydrocarbon derivative - Organic oxide - Organophosphorus compound - Organonitrogen compound - Organochloride - Organic oxygen compound - Organohalogen compound - Organic nitrogen compound - Amine - Alkyl halide - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as bisphosphonates. These are organic compounds containing two phosphonate groups linked together through a 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	N,N-dibutylbutan-1-amine;[dichloro(phosphono)methyl]phosphonic acid
INCHI	InChI=1S/C12H27N.CH4Cl2O6P2/c1-4-7-10-13(11-8-5-2)12-9-6-3;2-1(3,10(4,5)6)11(7,8)9/h4-12H2,1-3H3;(H2,4,5,6)(H2,7,8,9)
InChIKey	NDWFZUQKBXXXGW-UHFFFAOYSA-N
Smiles	CCCCN(CCCC)CCCC.C(P(=O)(O)O)(P(=O)(O)O)(Cl)Cl
Isomeric SMILES	CCCCN(CCCC)CCCC.C(P(=O)(O)O)(P(=O)(O)O)(Cl)Cl
Alternate CAS	163706-61-4
PubChem CID	9932400
Molecular Weight	430.2

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	430.200 g/mol
XLogP3
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	11
Exact Mass	429.1 Da
Monoisotopic Mass	429.1 Da
Topological Polar Surface Area	118.000 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	283.000
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	2

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