Benzene,1-methyl-4-(phenylsulfonyl)

Modify Date: 2026-08-08 18:16:46

Benzene,1-methyl-4-(phenylsulfonyl) structure	Common Name	Benzene,1-methyl-4-(phenylsulfonyl)
	CAS Number	640-57-3	Molecular Weight	232.29800
	Density	1.196g/cm3	Boiling Point	387.9ºC at 760 mmHg
	Molecular Formula	C₁₃H₁₂O₂S	Melting Point	127-129ºC
	MSDS	N/A	Flash Point	229.7ºC

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name	1-(benzenesulfonyl)-4-methylbenzene
Synonym	More Synonyms

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density	1.196g/cm3
Boiling Point	387.9ºC at 760 mmHg
Melting Point	127-129ºC
Molecular Formula	C₁₃H₁₂O₂S
Molecular Weight	232.29800
Flash Point	229.7ºC
Exact Mass	232.05600
PSA	42.52000
LogP	3.90860
Index of Refraction	1.583
InChIKey	YBRXHRWLEFCFEG-UHFFFAOYSA-N
SMILES	Cc1ccc(S(=O)(=O)c2ccccc2)cc1

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

CHEMICAL IDENTIFICATION

RTECS NUMBER :: WR6880000

CHEMICAL NAME :: Sulfone, phenyl p-tolyl

CAS REGISTRY NUMBER :: 640-57-3

BEILSTEIN REFERENCE NO. :: 1872872

LAST UPDATED :: 199701

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C13-H12-O2-S

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD - Lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >500 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NCNSA6 National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. (Washington, DC) Volume(issue)/page/year: 5,42,1953

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Hazard Codes	Xi
Safety Phrases	S22-S24/25
HS Code	2904100000

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

This table lists upstream starting materials and downstream derivative products related to this chemical.

Precursor 10
CAS#:591-50-4 Iodobenzene CAS#:824-79-3 Sodium toluene-... CAS#:106-49-0 p-Toluidine CAS#:618-41-7 Phenylsulfinic acid
CAS#:108-86-1 Bromobenzene CAS#:17763-67-6 phenyl trifluor... CAS#:98-59-9 Tosyl chloride CAS#:71-43-2 benzene
CAS#:5720-05-8 4-Tolylboronic acid CAS#:873-55-2 Sodium benzenes...
DownStream 7
CAS#:536-57-2 4-Methylbenzene... CAS#:5361-54-6 4-Benzenesulfon... CAS#:3699-01-2 4-Methylphenyl ... CAS#:16426-10-1 Benzeneethanol,...
CAS#:7705-63-7 1-(benzenesulfo... CAS#:66-39-7 4-(Phenylsulfon... CAS#:83859-32-9 1-methyl-4-phen...

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

HS Code	2904100000
Summary	2904100000 derivatives containing only sulpho groups, their salts and ethyl esters。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

This table contains target information, in‑vitro & in‑vivo assay data for this compound.

Name: Therapeutic index, ratio of IC50 for mice (Mus musculus) J774.G8 cells to IC50 for ch...
Source: ChEMBL
Target: N/A
External Id: CHEMBL944273

Name: Cytotoxicity against mouse J774.G8 cells after 72 hrs by MTS assay
Source: ChEMBL
Target: N/A
External Id: CHEMBL944272

Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose

Name: Antimalarial activity against chloroquine-sensitive Plasmodium falciparum W2 by [3H]h...
Source: ChEMBL
Target: Plasmodium falciparum
External Id: CHEMBL944269

Name: Inhibition of Plasmodium falciparum KAS3 expressed in Escherichia coli assessed as tr...
Source: ChEMBL
Target: N/A
External Id: CHEMBL944268

Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose

Name: Antimalarial activity against Plasmodium falciparum TM91C235 by [3H]hypoxanthine upta...
Source: ChEMBL
Target: Plasmodium falciparum
External Id: CHEMBL944271

Name: ASTRAZENECA: Octan-1-ol/water (pH7.4) distribution coefficent measured by a shake fl...
Source: ChEMBL
Target: N/A
External Id: CHEMBL3301363

Name: Antimalarial activity against chloroquine-resistant Plasmodium falciparum D6 by [3H]h...
Source: ChEMBL
Target: Plasmodium falciparum
External Id: CHEMBL944270

Name: HIV Cellular Data
Source: NIAID
Target: N/A
External Id: HIV Cellular Data

Total 10, Current Page 1 of 1

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

4-phenylsulfonyltoluene

4-Methyldiphenylsulfone

Phenyl p-tolyl sulfone

p-methylphenyl phenyl sulfone

EINECS 211-364-7

4-methyldiphenylsulphone

Sulfone,phenyl p-tolyl

p-Tolyl phenyl sulfone

1-Benzenesulfonyl-4-methyl-benzene

4-methylphenyl phenyl sulfone

MFCD00025038

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the safety information for 1-(benzenesulfonyl)-4-methylbenzene?

A: Safety information for 1-(benzenesulfonyl)-4-methylbenzene: S22-S24/25.

Q: What are the downstream products of 1-(benzenesulfonyl)-4-methylbenzene?

A: Related downstream products(CAS) of 1-(benzenesulfonyl)-4-methylbenzene: 536-57-2;5361-54-6;3699-01-2;16426-10-1;7705-63-7;66-39-7;83859-32-9.

Q: What is the molecular formula of 1-(benzenesulfonyl)-4-methylbenzene?

A: Molecular formula of 1-(benzenesulfonyl)-4-methylbenzene is C13H12O2S.

Q: What is the boiling point of 1-(benzenesulfonyl)-4-methylbenzene?

A: Boiling point of 1-(benzenesulfonyl)-4-methylbenzene is 387.9ºC at 760 mmHg.

Q: What is the polar surface area (PSA) of 1-(benzenesulfonyl)-4-methylbenzene?

A: Polar surface area (PSA) of 1-(benzenesulfonyl)-4-methylbenzene is 42.52000.

Q: What is the InChIKey of 1-(benzenesulfonyl)-4-methylbenzene?

A: InChIKey of 1-(benzenesulfonyl)-4-methylbenzene is YBRXHRWLEFCFEG-UHFFFAOYSA-N.

Q: What is the LogP of 1-(benzenesulfonyl)-4-methylbenzene?

A: LogP of 1-(benzenesulfonyl)-4-methylbenzene is 3.90860.

Q: What is the melting point of 1-(benzenesulfonyl)-4-methylbenzene?

A: Melting point of 1-(benzenesulfonyl)-4-methylbenzene is 127-129ºC.

Q: What is the SMILES notation of 1-(benzenesulfonyl)-4-methylbenzene?

A: SMILES notation of 1-(benzenesulfonyl)-4-methylbenzene is Cc1ccc(S(=O)(=O)c2ccccc2)cc1.

Q: What is the molecular weight of 1-(benzenesulfonyl)-4-methylbenzene?

A: Molecular weight of 1-(benzenesulfonyl)-4-methylbenzene is 232.29800.

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd

Dayang Chem (Hangzhou) Co., Ltd.

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.

Shanghai Nianxing Industrial Co., Ltd
China
Product Name: Benzene,1-methyl-4-(phenylsulfonyl)
Price: Check
Purity: 98.0%
Delivery: 10 Day
Contact: Yang
Email: sales@echemcloud.com

Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: Benzene,1-methyl-4-(phenylsulfonyl)-
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Delivery: Inquiry
Contact: Ms Wang
Email: enquiry@dycnchem.com

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