Cas no 1027-12-9 (1,3-Benzenedisulfonamide,4-amino-6-chloro-N1,N3-dimethyl-)
1027-12-9 structure
Product Name:1,3-Benzenedisulfonamide,4-amino-6-chloro-N1,N3-dimethyl-
CAS No:1027-12-9
MF:C8H12ClN3O4S2
MW:313.781578063965
CID:149563
PubChem ID:120952
Update Time:2025-04-19
1,3-Benzenedisulfonamide,4-amino-6-chloro-N1,N3-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenedisulfonamide,4-amino-6-chloro-N1,N3-dimethyl-
- 4-amino-6-chloro-1-N,3-N-dimethylbenzene-1,3-disulfonamide
- 4-Amino-6-chloro-N,N'-dimethyl-1,3-benzenedisulfonamide
- 4-amino-6-chloro-N1,N3-dimethyl-1,3-Benzenedisulfonamide
- K-572
- BRN 2009378
- ZINC01482003
- Hydrochlorothiazide Impurity 29
- 4-Amino-6-chloro-N,N'-dimethyl-m-benzenedisulfonamide
- 4-14-00-02810 (Beilstein Handbook Reference)
- 2-Cloro-6-amino-3,5-benzenedisulfonmetilamide
- DTXSID00145460
- FT-0729356
- 4-Amino-6-chloro-N,N/'-dimethyl-1,3-benzenedisulfonamide
- K 572
- 2-Cloro-6-amino-3,5-benzenedisulfonmetilamide [Italian]
- BCP33639
- m-Benzenedisulfonamide, 4-amino-6-chloro-N,N'-dimethyl-
- 1027-12-9
- 2-Chloro-6-amino-3,5-benzenedisulphonmethylamide
-
- Inchi： 1S/C8H12ClN3O4S2/c1-11-17(13,14)7-4-8(18(15,16)12-2)6(10)3-5(7)9/h3-4,11-12H,10H2,1-2H3
- InChI Key： OETUDWYVNUKHJY-UHFFFAOYSA-N
- SMILES： ClC1C=C(C(=CC=1S(NC)(=O)=O)S(NC)(=O)=O)N
Computed Properties
- Exact Mass: 312.99596
- Monoisotopic Mass: 312.996
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 482
- 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
- XLogP3: 0.4
- Topological Polar Surface Area: 135?2
Experimental Properties
- Density: 1.531
- Boiling Point: 528.3°C at 760 mmHg
- Flash Point: 273.3°C
- Refractive Index: 1.592
- PSA: 118.36
- LogP: 3.26300
1,3-Benzenedisulfonamide,4-amino-6-chloro-N1,N3-dimethyl- Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
-
Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
-
Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
-
Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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