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1-Chloro-3,5-di(4-chlorbenzoyl)-2-deoxy-D-ribose - 90%, high purity , CAS No.3601-90-9

COA

Grade & Purity:

≥90%

Cas Number: 3601-90-9
Molecular Weight: 429.68
PubChem CID: 9845542

In stock

Item Number

C189121

Grouped product items
SKU	Size	Availability	Price
C189121-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$11.90
C189121-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$27.90
C189121-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$68.90

Basic Description

Synonyms	3601-90-9 \| (2R,3S)-5-Chloro-2-(((4-chlorobenzoyl)oxy)methyl)tetrahydrofuran-3-yl 4-chlorobenzoate \| 1-Chloro-3,5-di-(p-chlorobenzoyl)-2-deoxy-D-ribose \| 21740-23-8 \| (2R,3S)-5-Chloro-2-(((4-chlorobenzoyl)oxy)methyl)-tetrahydrofuran-3-yl 4-chlorobenzoate \| 1-Chloro
Specifications & Purity	≥90%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Benzoic acid esters
Alternative Parents	4-halobenzoic acids and derivatives Benzoyl derivatives Chlorobenzenes Aryl chlorides Oxolanes Carboxylic acid esters Oxacyclic compounds Dialkyl ethers Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Benzoate ester - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoyl - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Oxolane - Carboxylic acid ester - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Ether - Dialkyl ether - Hydrocarbon derivative - Organohalogen compound - Organochloride - Alkyl chloride - Organic oxygen compound - Organooxygen compound - Organic oxide - Alkyl halide - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic 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

Names and Identifiers

IUPAC Name	[(2R,3S)-5-chloro-3-(4-chlorobenzoyl)oxyoxolan-2-yl]methyl 4-chlorobenzoate
INCHI	InChI=1S/C19H15Cl3O5/c20-13-5-1-11(2-6-13)18(23)25-10-16-15(9-17(22)26-16)27-19(24)12-3-7-14(21)8-4-12/h1-8,15-17H,9-10H2/t15-,16+,17?/m0/s1
InChIKey	QEHCZULNFYDPPL-RTKIROINSA-N
Smiles	C1C(C(OC1Cl)COC(=O)C2=CC=C(C=C2)Cl)OC(=O)C3=CC=C(C=C3)Cl
Isomeric SMILES	C1[C@@H]([C@H](OC1Cl)COC(=O)C2=CC=C(C=C2)Cl)OC(=O)C3=CC=C(C=C3)Cl
Molecular Weight	429.68
Reaxy-Rn	32945374
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=32945374&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	429.700 g/mol
XLogP3	5.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	427.999 Da
Monoisotopic Mass	427.999 Da
Topological Polar Surface Area	61.800 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	515.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	1
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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