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O,O,O-Tris(4-aminophenyl) phosphorothioate - 97%, high purity , CAS No.52664-35-4

COA

Grade & Purity:

≥97%

Cas Number: 52664-35-4
Molecular Weight: 387.4
EC Number: ‘258-083-6
PubChem CID: 104278

In stock

Item Number

O589367

Grouped product items
SKU	Size	Availability	Price	Qty
O589367-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$10.90
O589367-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$59.90

Basic Description

Synonyms	EINECS 258-083-6 \| 4-bis(4-aminophenoxy)phosphinothioyloxyaniline \| DTXSID70967095 \| SCHEMBL349378 \| AKOS015894715 \| FT-0640092 \| Tris(4-aminophenyl) thiophosphate \| F20685 \| W-111054 \| o,o,o-tris(4-aminophenyl) phosphorothioate \| Thionophosphoric acid- t
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C,Protected from light,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Organic thiophosphoric acids and derivatives
    - Subclass Thiophosphoric acid esters
      - Level5 Aryl thiophosphates
        Level6 Phenyl thiophosphates

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Organic thiophosphoric acids and derivatives
Subclass	Thiophosphoric acid esters
Intermediate Tree Nodes	Aryl thiophosphates
Direct Parent	Phenyl thiophosphates
Alternative Parents	Thiophosphate triesters Phenoxy compounds Aniline and substituted anilines Primary amines Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenyl thiophosphate - Phenoxy compound - Aniline or substituted anilines - Thiophosphate triester - Benzenoid - Monocyclic benzene moiety - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenyl thiophosphates. These are organothiophosphorus compounds that contain a thiophosphoric acid O-esterified with a phenyl group.
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-bis(4-aminophenoxy)phosphinothioyloxyaniline
INCHI	InChI=1S/C18H18N3O3PS/c19-13-1-7-16(8-2-13)22-25(26,23-17-9-3-14(20)4-10-17)24-18-11-5-15(21)6-12-18/h1-12H,19-21H2
InChIKey	MBUAAMOJATXYKR-UHFFFAOYSA-N
Smiles	C1=CC(=CC=C1N)OP(=S)(OC2=CC=C(C=C2)N)OC3=CC=C(C=C3)N
Isomeric SMILES	C1=CC(=CC=C1N)OP(=S)(OC2=CC=C(C=C2)N)OC3=CC=C(C=C3)N
Molecular Weight	387.4
Reaxy-Rn	2674304
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2674304&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	387.400 g/mol
XLogP3	4.600
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	387.081 Da
Monoisotopic Mass	387.081 Da
Topological Polar Surface Area	138.000 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	408.000
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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