中文版English

CAS Number: 1531-77-7
dibenzo[b,e]thiepin-11(6H)-one

Structure

dibenzo[b,e]thiepin-11(6H)-one
Name: dibenzo[b,e]thiepin-11(6H)-one
Synonyms:
General Information
Product Number: 1531777
CAS Registry Number: 1531-77-7
Name:
        Dibenzo[b,​e]​thiepin-​11(6H)​-​one
        6,​11-​Dihydro-​11-​oxodibenzo[b,​e]​thiepin; 6,​11-​Dihydrodibenz[b,​e]​thiepin-​11-​one; 6,​11-​Dihydrodibenzo[b,​e]​thiepin-​11-​one; Homothioxanthone 
 
Chemical Formula: C14H10OS
Exact Mass: 226.05
Molecular Weight: 226.29
m/z: 226.05 (100.0%), 227.05 (15.3%), 228.04 (4.5%), 228.05 (1.4%)
Elemental Analysis: C, 74.31; H, 4.45; O, 7.07; S, 14.17
 
InChI: InChI=1S/C14H10OS/c15-14-11-6-2-1-5-10(11)9-16-13-8-4-3-7-12(13)14/h1-8H,9H2
InChIKey: JGJDEWXZEIHBNW-UHFFFAOYSA-N
Canonical SMILES : C1C2=CC=CC=C2C(=O)C3=CC=CC=C3S1
 
Thermal Properties Value Condition Note
Boiling Point 175-180 °C Press: 1 Torr (1)CAS
Boiling Point 162-165 °C Press: 0.1 Torr (1)CAS
Melting Point 88-89 °C   (4)CAS
Melting Point 86.4-88.1 °C Solv: isopropanol (67-63-0) (5)CAS
Melting Point 86-88 °C Solv: ethanol (64-17-5) (6)CAS
Melting Point 86-87 °C   (1)CAS
Melting Point 86-87 °C Solv: ethanol (64-17-5) (7)IC
Melting Point 85-86 °C Solv: chloroform (67-66-3); ligroine (8032-32-4) (3)CAS
Melting Point 84-86 °C   (8)CAS
Melting Point 84-86 °C   (9)CAS
Melting Point 84-86 °C Solv: cyclohexane (110-82-7) (10)IC
Melting Point 80-87 °C Solv: ethyl ether (60-29-7); ligroine (8032-32-4) (1)CAS
Melting Point 74-76 °C Solv: methanol (67-56-1) (2)CAS
Melting Point 73-78 °C   (11)CAS

Specification

98%

References
  1. (1) Rajsner, M.; Cesko-Slovenska Farmacie 1962, P404-9 CAPLUS
  2. (2) Jasinski, Jerry P.; Acta Crystallographica, Section E: Structure Reports Online 2010, V66(2), Po350, So350/1-S350/6 CAPLUS
  3. (3) Taljaard, Benjamin; South African Journal of Chemistry 2004, V57, P44-48 CAPLUS
  4. (4) BE 623259 1963 CAPLUS
  5. (5) Stecoza, Camelia Elena; Revista de Chimie (Bucharest, Romania) 2008, V59(12), P1348-1351 CAPLUS
  6. (6) Rajsner, Miroslav; CS 127965 1968 CAPLUS
  7. (7) Hori, Mikio; Yakugaku Zasshi 1978, V98(10), P1341-8 CAPLUS
  8. (8) Jucker, Ernst; CH 384589 1965 CAPLUS
  9. (9) GB 1001824 1965 CAPLUS
  10. (10) Sindelar, Karel; Collection of Czechoslovak Chemical Communications 1983, V48(7), P1898-909 CAPLUS
  11. (11) Engelhardt, Edward L.; BE 641407 1964 CAPLUS
  12. (12) Pawlak, Z.; Analytical Proceedings 1990, V27(1), P16-18 CAPLUS
Contact Us
TEL:  86-17758012822
FAX:  86-571-87759731
E-mail:sales@hzchempro.com
[ CLOSE ]