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CAS Number: 532-55-8
benzoyl isothiocyanate

Structure

 benzoyl isothiocyanate
Name: benzoyl isothiocyanate
Synonyms:
General Information
Product Number: 532558
CAS Number:
532-55-8
Name:
Benzoyl isothiocyanate
 Formula:
C8H5NOS
Molecular Weight:
163.19
Synonyms:
Benzoicacid, anhydride with isothiocyanic acid (6CI,7CI,8CI);Isothiocyanic acid,anhydride with benzoic acid (8CI);Benzoylthiocarbimide;N-Benzoylisothiocyanate;
EINECS:
208-540-0
SMILES:
S=C=NC(=O)c1ccccc1
Density:
1.214 g/cm3
Melting Point:
128 °C
Boiling Point:
251.7 °C at 760 mmHg
Flash Point:
106 °C
Appearance:
clear yellow to orange-brown liquid
Hazard Symbols:
T,Xi
Risk Codes:
25-32-36-43-42/43-36/37/38-20/21/22
Safety:
26-36/37-45-36/37/39
Transport Information:
UN 2810 6.1/PG 3
 
Boiling Point 135 °C   (1)SRC
Boiling Point 133-137 °C Press: 18 Torr (2)CAS
Boiling Point 68-70 °C Press: 0.06 Torr (3)CAS
Boiling Point 58-62 °C Press: 0.03 Torr (4)CAS
Boiling Point See full text   (5)IC
Boiling Point See full text   (6)IC
Boiling Point See full text   (7)IC
Boiling Point See full text   (8)IC
Boiling Point See full text   (9)IC
Boiling Point See full text   (10)IC
Boiling Point See full text   (11)IC
Boiling Point See full text   (12)IC
Boiling Point See full text   (13)IC
Boiling Point See full text   (14)IC
Boiling Point See full text   (15)IC
Boiling Point See full text   (16)IC
Melting Point 175 °C   (24)CAS
Melting Point 84-86 °C Solv: ethyl ether (60-29-7) (25)CAS
Melting Point <25 °C   (1)SRC
Melting Point See full text   (26)IC

Specification

98%
References
  1. (1) "PhysProp" data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
  2. (2) Ambelang, Joseph C.; Journal of the American Chemical Society 1939, V61, P632-3 CAPLUS
  3. (3) Anders, Bertram; DE 1215144 1966 CAPLUS
  4. (4) Elmore, D. T.; Journal of the Chemical Society 1958, P1141-5 CAPLUS
  5. (5) Cambie, Richard C.; Australian Journal of Chemistry 1984, V37(10), P2073-84 CAPLUS
  6. (6) Motoki, Shinichi; Journal of Organic Chemistry 1976, V41(16), P2759-62 CAPLUS
  7. (7) Yamamoto, Yutaka; Chemical & Pharmaceutical Bulletin 1984, V32(8), P2957-62 CAPLUS
  8. (8) Tamura, Y.; Chemistry & Industry (London, United Kingdom) 1978, (20), P806-7 CAPLUS
  9. (9) Brindley, Jocelyn C.; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) 1987, (5), P1153-8 CAPLUS
  10. (10) Kniezo, Ladislav; Synthetic Communications 1990, V20(4), P509-13 CAPLUS
  11. (11) Neidlein, R.; Archiv der Pharmazie (Weinheim, Germany) 1975, V308(3), P189-95 CAPLUS
  12. (12) Hritzova, Olga; Collection of Czechoslovak Chemical Communications 1978, V43(12), P3258-62 CAPLUS
  13. (13) Basyouni, Mohamed Nabih; Bulletin of the Chemical Society of Japan 1979, V52(12), P3728-32 CAPLUS
  14. (14) Hanefeld, Wolfgang; Archiv der Pharmazie (Weinheim, Germany) 1980, V313(10), P833-41 CAPLUS
  15. (15) Kantlehner, Willi; Liebigs Annalen der Chemie 1980, (3), P389-93 CAPLUS
  16. (16) Zaman Rao, S.; Journal of the Indian Chemical Society 1982, V59(3), P375-7 CAPLUS
  17. (17) BIORAD: Copyright Bio-Rad Laboratories. All Rights Reserved.
  18. (18) Danihel, Ivan; Collection of Czechoslovak Chemical Communications 1985, V50(6), P1422-31 CAPLUS
  19. (19) AIST: Integrated Spectral Database System of Organic Compounds. (Data were obtained from the National Institute of Advanced Industrial Science and Technology (Japan))
  20. (20) 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.
  21. (21) Rana, Arpana; European Journal of Medicinal Chemistry 2008, V43(5), P1114-1122 CAPLUS
  22. (22) Von Ohe, Peter C.; Chemical Research in Toxicology 2005, V18(3), P536-555 CAPLUS
  23. (23) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  24. (24) Datar, Prasanna A.; Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry 2003, V42B(3), P690-694 CAPLUS
  25. (25) Widler, Leo; Journal of Medicinal Chemistry 2010, V53(5), P2250-2263 CAPLUS
  26. (26) Harrison, Charles R.; Synthesis 1980, (4), P299-301 CAPLUS
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