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1-Chlorophenothiazine

1-Chlorophenothiazine structure

1-Chlorophenothiazine 

structure
  • CAS No:

    1910-85-6

  • Formula:

    C12H8ClNS

  • Chemical Name:

    1-Chlorophenothiazine

  • Synonyms:

    1-chloro-10H-phenothiazine;1-CHLOROPHENOTHIAZINE;10H-Phenothiazine, chloro-;NSC516775;phenothiazine chloride;1-chloro-phenothiazine;10H-Phenothiazine,1-chloro-;SCHEMBL560873;10H-Phenothiazine, 1-chloro-;CTK4E0576

1-Chlorophenothiazine Basic Attributes

233.71662

233.00700

516775

DTXSID60325741

2934300000

Characteristics

37.3

4.2

1.346±0.06 g/cm3(Predicted)

92 °C

392.3±31.0 °C(Predicted)

191.1ºC

1.68

2.31E-06mmHg at 25°C

1-Chlorophenothiazine Use and Manufacturing

General procedure: To an oven-dried 25 mL ground mouth test tube equipped with a stir bar was added S-2-acetamidophenyl ethanethioate (0.5 mmol), 1-bromo-2-iodobenzene (0.6 mmol), Cs2CO3 (2.0 mmol), DMF (3 mL). The test tube was sealed with a sleeve rubber stopper and evacuated and refilled with argon for three cycles. The mixture was stirred 130 oC for 10 hours. After cooling to room temperature, the reaction mixture was quenched with water (20 mL), and extracted with ethyl acetate (20 mL) for three times. The combined organic layer was dried with anhydrous MgSO4, and condensed in vacuum on a rotary evaporator. The residual was purified on a silica gel chromatograph column by means of gradient elution (eluent: petroleum ether / ethyl acetate) to give the desired product. #10;

Computed Properties

Molecular Weight:233.72
XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:233.0065981
Monoisotopic Mass:233.0065981
Topological Polar Surface Area:37.3
Heavy Atom Count:15
Complexity:236
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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