Benzenesulfonic acid, 2,4,6-trimethyl-, 2-chloroethyl ester

Modify Date: 2025-09-30 18:44:10

Benzenesulfonic acid, 2,4,6-trimethyl-, 2-chloroethyl ester structure	Common Name	Benzenesulfonic acid, 2,4,6-trimethyl-, 2-chloroethyl ester
	CAS Number	85650-10-8	Molecular Weight	262.75300
	Density	1.226g/cm3	Boiling Point	411.4ºC at 760mmHg
	Molecular Formula	C₁₁H₁₅ClO₃S	Melting Point	N/A
	MSDS	N/A	Flash Point	202.6ºC

Name	2-chloroethyl 2,4,6-trimethylbenzenesulfonate
Synonym	More Synonyms

Density	1.226g/cm3
Boiling Point	411.4ºC at 760mmHg
Molecular Formula	C₁₁H₁₅ClO₃S
Molecular Weight	262.75300
Flash Point	202.6ºC
Exact Mass	262.04300
PSA	51.75000
LogP	3.63670
Index of Refraction	1.521
InChIKey	YUGYVJZSOQHHFC-UHFFFAOYSA-N
SMILES	Cc1cc(C)c(S(=O)(=O)OCCCl)c(C)c1

mesitylene-2-su...

CAS#:773-64-8

2-Chloroethanol

CAS#:107-07-3

~73%

Benzenesulfonic...

CAS#:85650-10-8

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Literature: Shealy, Y. Fulmer; Krauth, Charles A.; Struck, Robert F.; Montgomery, John A. Journal of Medicinal Chemistry, 1983 , vol. 26, # 8 p. 1168 - 1173

Precursor 2
CAS#:773-64-8 mesitylene-2-su... CAS#:107-07-3 2-Chloroethanol
DownStream 0

Name: Mortality of P388 leukemia in mice at a dose of 200 mg/kg, schedule (q.d.)); 6 mice d...
Source: ChEMBL
Target: P388
External Id: CHEMBL759693

Name: Survival time(T/C) of mice against P388 leukemia at a dose of 50 mg/kg, schedule (q.d...
Source: ChEMBL
Target: P388
External Id: CHEMBL761564

Name: Mortality of P388 leukemia in mice at a dose of 100 mg/kg, schedule (q.d.)).
Source: ChEMBL
Target: P388
External Id: CHEMBL760322

Name: Survival time(T/C) of mice against P388 leukemia at a dose of 100 mg/kg, schedule (q....
Source: ChEMBL
Target: P388
External Id: CHEMBL758695

Name: Weight change in mice against P388 leukemia
Source: ChEMBL
Target: P388
External Id: CHEMBL761573

Name: Mortality of P388 leukemia in mice at a dose of 50 mg/kg, schedule (q.d.)); 0 mice de...
Source: ChEMBL
Target: P388
External Id: CHEMBL759702

Name: T/C ratio against P388 leukemia in mice at a dose(mg/kg, schedule (q.d.))
Source: ChEMBL
Target: P388
External Id: CHEMBL756335

Name: T/C ratio against P388 leukemia in mice at a dose(mg/kg, schedule (q.d.).
Source: ChEMBL
Target: P388
External Id: CHEMBL756336

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Benzenesulfonic acid,2,4,6-trimethyl-,2-chloroethyl ester

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