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CAS Number: 18956-87-1
10H-phenothiazine-10-carbonyl chloride

Structure

10H-phenothiazine-10-carbonyl chloride
Name: 10H-phenothiazine-10-carbonyl chloride
Synonyms:
General Information
Product Number: 18956871

CAS Registry Number: 18956-87-1

Name:

10H-​Phenothiazine-​10-​carbonyl chloride
Phenothiazine-​10-​carbonyl chloride (6CI,​7CI,​8CI); 10-​Chlorocarbonylphenot​hiazine; N-​(Chlorocarbonyl)​phenothiazine; Phenothiazine-​N-​carbonyl chloride 

 

Chemical Formula: C13H8ClNOS
Exact Mass: 261.00
Molecular Weight: 261.73
m/z: 261.00 (100.0%), 263.00 (36.6%), 262.00 (15.2%), 264.00 (5.6%), 264.99 (1.4%), 263.01 (1.1%)
Elemental Analysis: C, 59.66; H, 3.08; Cl, 13.55; N, 5.35; O, 6.11; S, 12.25

 

InChI: InChI=1S/C13H8ClNOS/c14-13(16)15-9-5-1-3-7-11(9)17-12-8-4-2-6-10(12)15/h1-8H
InChIKey: MJRIZSDRKPPHTK-UHFFFAOYSA-N
Canonical SMILES : C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)Cl

 

Thermal Properties Value Condition Note
Melting Point 300.5-303.5 °C Solv: ligroine (8032-32-4); dichloromethane (75-09-2) (2)CAS
Melting Point 168 °C   (4)CAS
Melting Point 120-122 °C Solv: ethyl acetate (141-78-6) (5)CAS
Melting Point 99 °C   (6)CAS

Specification

98%

References
  1. (1) BIORAD: Copyright Bio-Rad Laboratories. All Rights Reserved.
  2. (2) Darvesh, Sultan; Bioorganic & Medicinal Chemistry 2007, V15(19), P6367-6378 CAPLUS
  3. (3) BIORAD: Infrared spectral data from the Bio-Rad/Sadtler IR Data Collection was obtained from Bio-Rad Laboratories, Philadelphia, PA (US). Copyright © Bio-Rad Laboratories. All Rights Reserved.
  4. (4) FR 1192168 1959 CAPLUS
  5. (5) Dahlbom, Richard; Acta Chemica Scandinavica 1961, V15, P2043-6 CAPLUS
  6. (6) Friederich, Herbert H.; DE 1072994 1960 CAPLUS
  7. (7) Shi, Lei; Tetrahedron Letters 2010, V51(26), P3439-3442 CAPLUS
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