Cas no 78150-04-6 (Benzenesulfonic acid,2,5-dichloro-, methyl ester)
78150-04-6 structure
Product Name:Benzenesulfonic acid,2,5-dichloro-, methyl ester
CAS No:78150-04-6
MF:C7H6Cl2O3S
MW:241.091739177704
CID:566807
PubChem ID:132668
Update Time:2025-04-19
Benzenesulfonic acid,2,5-dichloro-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonic acid,2,5-dichloro-, methyl ester
- methyl 2,5-dichlorobenzenesulfonate
- methyl 2,5-dichlorobenzenesulphonate
- Methyldichlorobenzene sulfonate
- 78150-04-6
- SCHEMBL5318058
- Methyl 2,5-dichlorobenzene sulfonate
- DTXSID20228805
- InChI=1/C7H6Cl2O3S/c1-12-13(10,11)7-4-5(8)2-3-6(7)9/h2-4H,1H3
- NS00022799
- EINECS 278-851-4
- Benzenesulfonic acid, 2,5-dichloro-, methyl ester
- LPOZFGQJZQYOBJ-UHFFFAOYSA-
-
- Inchi： 1S/C7H6Cl2O3S/c1-12-13(10,11)7-4-5(8)2-3-6(7)9/h2-4H,1H3
- InChI Key： LPOZFGQJZQYOBJ-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1S(=O)(=O)OC)Cl
Computed Properties
- Exact Mass: 239.94147
- Monoisotopic Mass: 239.94147
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 259
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 51.8
- XLogP3: 2.5
Experimental Properties
- Density: 1.493
- Boiling Point: 342.9°C at 760 mmHg
- Flash Point: 161.2°C
- Refractive Index: 1.551
Benzenesulfonic acid,2,5-dichloro-, methyl ester Related Literature
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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