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4-(P-tolylthio)benzophenone - ≥98.0%(HPLC), high purity , CAS No.83846-85-9

COA

Grade & Purity:

≥98%(HPLC)

Cas Number: 83846-85-9
Molecular Weight: 304.41
MDL number: MFCD00055651
PubChem CID: 174341
PubChem SID: 504757677

In stock

Item Number

P133611

Grouped product items
SKU	Size	Availability	Price
P133611-5g	5g	2	$9.90
P133611-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$22.90
P133611-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$70.90
P133611-500g	500g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$315.90

View related series

Non heterocyclic block (8163) Sulfur containing compounds (986)

Basic Description

Synonyms	4-(p-tolylthio) benzophenone \| AC-16499 \| AS-61693 \| n-methyl-n-(trimethylsilyl)2,2,2-trifluoroacetamide \| 4-Methyl-4'-benzoyldiphenyl sulfide \| CCG-245131 \| DTXSID10888614 \| Phenyl (p-tolylthio)phenyl ketone \| H11336 \| CS-W013966 \| EINECS 281-064-9 \| 4-(
Specifications & Purity	≥98%(HPLC)
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzophenones
Intermediate Tree Nodes	Not available
Direct Parent	Benzophenones
Alternative Parents	Diphenylmethanes Aryl-phenylketones Diarylthioethers Thiophenol ethers Benzoyl derivatives Toluenes Sulfenyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzophenone - Aryl-phenylketone - Diphenylmethane - Diarylthioether - Aryl thioether - Benzoyl - Aryl ketone - Thiophenol ether - Toluene - Ketone - Thioether - Sulfenyl compound - Organosulfur compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.
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

Pubchem Sid	504757677
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504757677
IUPAC Name	[4-(4-methylphenyl)sulfanylphenyl]-phenylmethanone
INCHI	InChI=1S/C20H16OS/c1-15-7-11-18(12-8-15)22-19-13-9-17(10-14-19)20(21)16-5-3-2-4-6-16/h2-14H,1H3
InChIKey	DBHQYYNDKZDVTN-UHFFFAOYSA-N
Smiles	CC1=CC=C(C=C1)SC2=CC=C(C=C2)C(=O)C3=CC=CC=C3
Isomeric SMILES	CC1=CC=C(C=C1)SC2=CC=C(C=C2)C(=O)C3=CC=CC=C3
PubChem CID	174341
Molecular Weight	304.41
Reaxy-Rn	7376222

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

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Analytical Chart:

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Lot Number	Certificate Type	Date	Item
E1722009	Certificate of Analysis	Nov 11, 2022	P133611

Chemical and Physical Properties

Sensitivity	Light Sensitive
Melt Point(°C)	83 °C
Molecular Weight	304.400 g/mol
XLogP3	5.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	304.092 Da
Monoisotopic Mass	304.092 Da
Topological Polar Surface Area	42.400 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	345.000
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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