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CAS Number: 3550-21-8
isothiocyanatodiphenylmethane

Structure

isothiocyanatodiphenylmethane
Name: isothiocyanatodiphenylmethane
Synonyms:
General Information
Product Number: 3550218
CAS Number:
3550-21-8
Name:
Benzene,1,1'-(isothiocyanatomethylene)bis-
Formula:
C14H11NS
Molecular Weight:
225.31
Synonyms:
Isothiocyanicacid, diphenylmethyl ester (6CI,7CI,8CI);Benzhydryl isothiocyanate;[Isothiocyanato(phenyl)methyl]benzene;1,1'-(Isothiocyanatomethylene)dibenzene;Benzene, 1,1'-(isothiocyanatomethylene)bis-;
SMILES: S=C=NC(c1ccccc1)c1ccccc1
MDL Number: MFCD00046815
【Risk Statements 】
 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
R42:May cause sensitization by inhalation.
【Safety Statements 】
 
S22:Do not breathe dust .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
【RIDADR 】
 
2811
【W(wǎng)GK Germany 】
 
3
【HazardClass 】
 
6.1
【PackingGroup 】
 
III
 
Boiling Point 165-167 °C Press: 9 Torr (1)CAS
Melting Point 61-62 °C   (4)CAS
Melting Point 59-60 °C   (9)CAS
Melting Point 59-60 °C   (10)CAS
Melting Point 57-58 °C Solv: ethyl ether (60-29-7) (7)IC
Melting Point 56.5-57.5 °C   (1)CAS
Melting Point 54-57 °C   (11)CAS
Melting Point See full text   (12)CAS

Specification

98%

References
  1. (1) Kaye, Irving Allan; Journal of the American Chemical Society 1952, V74, P403-7 CAPLUS
  2. (2) Barton, Derek H. R.; Tetrahedron 1992, V48(35), P7091-108 CAPLUS
  3. (3) Zhao, Pei-Hua; Acta Crystallographica, Section E: Structure Reports Online 2012, V68(2), Po388 CAPLUS
  4. (4) Bassas, Oriol; European Journal of Organic Chemistry 2009, (9), P1340-1351 CAPLUS
  5. (5) Wong, Rince; Journal of Organic Chemistry 2007, V72(10), P3969-3971 CAPLUS
  6. (6) Sharma, Shiv K.; Journal of Medicinal Chemistry 2010, V53(14), P5197-5212 CAPLUS
  7. (7) Kaminski, Jerzy; Polish Journal of Chemistry 1981, V55(3), P665-70 CAPLUS
  8. (8) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  9. (9) Dannenberg, Heinz; Chemische Berichte 1956, V89, P1625-34 CAPLUS
  10. (10) Iliceto, Antonio; Gazzetta Chimica Italiana 1960, V90, P919-40 CAPLUS
  11. (11) Dziadulewicz, Edward K.; Journal of Medicinal Chemistry 2002, V45(11), P2160-2172 CAPLUS
  12. (12) Jochims, Johannes C.; Angewandte Chemie, International Edition in English 1967, V6(2), P174-5 CAPLUS
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