Cas no 1730-46-7 (10H-Phenothiazine, 2,7-dichloro-)
1730-46-7 structure
Product Name:10H-Phenothiazine, 2,7-dichloro-
CAS No:1730-46-7
MF:C12H7Cl2NS
MW:268.161679506302
CID:1361492
Update Time:2024-08-17
10H-Phenothiazine, 2,7-dichloro- Chemical and Physical Properties
Names and Identifiers
-
- 10H-Phenothiazine, 2,7-dichloro-
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- Inchi： 1S/C12H7Cl2NS/c13-7-2-4-11-10(5-7)15-9-3-1-8(14)6-12(9)16-11/h1-6,15H
- InChI Key： NDPZVIPUBSCUAW-UHFFFAOYSA-N
- SMILES： C1=C2C(SC3=C(N2)C=CC(Cl)=C3)=CC=C1Cl
Computed Properties
- Exact Mass: 280.98347
- Monoisotopic Mass: 266.968
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 0
- Complexity: 263
- 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: 37.3A^2
Experimental Properties
- Density: 1.445±0.06 g/cm3(Predicted)
- Melting Point: 214.5-215.0 °C
- Boiling Point: 421.4±45.0 °C(Predicted)
- PSA: 3.24
- pka: -2.22±0.20(Predicted)
10H-Phenothiazine, 2,7-dichloro- Related Literature
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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