Benzenesulfonic acid,4-methyl-, phenyl ester

Modify Date: 2025-08-30 09:02:31

Benzenesulfonic acid,4-methyl-, phenyl ester structure	Common Name	Benzenesulfonic acid,4-methyl-, phenyl ester
	CAS Number	640-60-8	Molecular Weight	248.29800
	Density	1.245g/cm3	Boiling Point	385.8ºC at 760 mmHg
	Molecular Formula	C₁₃H₁₂O₃S	Melting Point	94-98ºC
	MSDS	N/A	Flash Point	187.1ºC

Name	p-toluenesulfonic acid phenyl ester
Synonym	More Synonyms

Density	1.245g/cm3
Boiling Point	385.8ºC at 760 mmHg
Melting Point	94-98ºC
Molecular Formula	C₁₃H₁₂O₃S
Molecular Weight	248.29800
Flash Point	187.1ºC
Exact Mass	248.05100
PSA	51.75000
LogP	3.84350
Appearance of Characters	Crystalline Powder \| White to beige
Index of Refraction	1.583
InChIKey	KZQFPRKQBWRRHQ-UHFFFAOYSA-N
SMILES	Cc1ccc(S(=O)(=O)Oc2ccccc2)cc1

MSDS(Chinese)

Hazard Codes	Xi
Risk Phrases	R36/37/38
Safety Phrases	S26-S37/39
HS Code	2906299090

Precursor 8
CAS#:98-59-9 Tosyl chloride CAS#:108-95-2 Phenol CAS#:1529-17-5 Trimethyl Pheno... CAS#:455-16-3 p-toluenesulfon...
CAS#:103-19-5 para-Tolyl disulfide CAS#:6293-66-9 Iodonium, diphe... CAS#:104-15-4 p-Toluenesulfon... CAS#:25491-50-3 Thallous Phenoxide
DownStream 10
CAS#:4096-21-3 1-Phenylpyrrolidine CAS#:4096-20-2 1-Phenylpiperidine CAS#:3526-43-0 N-(4-Methoxyben... CAS#:54879-64-0 N-[(4-Methoxyph...
CAS#:104-15-4 p-Toluenesulfon... CAS#:108-95-2 Phenol CAS#:93-89-0 Ethyl benzoate CAS#:92-53-5 4-Phenylmorpholine
CAS#:5123-13-7 5,5-Dimethyl-2-... CAS#:21784-96-3 n-Butyl p-tolyl...

HS Code	2906299090
Summary	2906299090 other aromatic alcohols。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN

Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN

Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN

Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1100

Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1101

Name: Schnurri-3 Inhibitors: specific inducers of adult bone formation Measured in Cell-Bas...
Source: Broad Institute
Target: N/A
External Id: 2134-01_Inhibitor_SinglePoint_HTS_Activity_Set2

Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity

Name: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
Source: Broad Institute
Target: N/A
External Id: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity

Name: High throughput screen for small molecule inhibitors of a hypoxia-regulated fluoresce...
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: N/A
External Id: HMS1149-MLP

Name: Primary Screen Inhibitors of CD40 Signaling in BL2 Cells Measured in Cell-Based Syste...
Source: Broad Institute
Target: N/A
External Id: 7124-01_Inhibitor_SinglePoint_HTS_Activity

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