Benzene,1-methyl-4-(phenylsulfonyl)

Modify Date: 2025-08-25 22:08:07

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

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

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

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

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

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...

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%

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

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

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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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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.