| Identification | More | [Name]
Benzoyl isothiocyanate | [CAS]
532-55-8 | [Synonyms]
BENZOYL ISOTHIOCYANATE
ISOTHIOCYANIC ACID BENZOYL ESTER
Benzoic acid, anhydride with HNCS
Benzoic acid, anhydride with isothiocyanic acid
Benzoylthiocarbimide
Benzoylisothiocyante
N-BENZOYLISOTHIOCYANATE
Isothiocyanic acid, anhydride with benzoic acid | [EINECS(EC#)]
208-540-0 | [Molecular Formula]
C8H5NOS | [MDL Number]
MFCD00004815 | [Molecular Weight]
163.2 | [MOL File]
532-55-8.mol |
| Chemical Properties | Back Directory | [Appearance]
CLEAR YELLOW TO ORANGE-BROWN LIQUID | [Melting point ]
128 °C | [Boiling point ]
128-131 °C/15 mmHg (lit.) | [density ]
1.214 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.6354(lit.)
| [Fp ]
>230 °F
| [storage temp. ]
Keep Cold | [solubility ]
Chloroform | [form ]
Liquid | [color ]
Clear yellow to orange-brown | [Specific Gravity]
1.214 | [Water Solubility ]
almost insoluble | [Sensitive ]
Moisture Sensitive/Lachrymatory | [Detection Methods]
GC,NMR | [Merck ]
14,1114 | [BRN ]
606716 | [CAS DataBase Reference]
532-55-8(CAS DataBase Reference) | [NIST Chemistry Reference]
Benzoyl isothiocyanate(532-55-8) | [Storage Precautions]
Moisture sensitive |
| Safety Data | Back Directory | [Hazard Codes ]
T,Xi | [Risk Statements ]
R25:Toxic if swallowed.
R32:Contact with acids liberates very toxic gas.
R36:Irritating to the eyes.
R43:May cause sensitization by skin contact.
R42/43:May cause sensitization by inhalation and skin contact .
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37:Wear suitable protective clothing and gloves .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . | [RIDADR ]
UN 2810 6.1/PG 3
| [WGK Germany ]
3
| [Hazard Note ]
Lachrymatory/Moisture Sensitive | [TSCA ]
T | [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
29309070 |
| Hazard Information | Back Directory | [Chemical Properties]
CLEAR YELLOW TO ORANGE-BROWN LIQUID | [Uses]
Benzoyl isothiocyanate has been used in the preparation of:
- 1-benzoyl-3-(5-chloro-2-hydroxyphenyl)thiourea, new thiourea derivative
- guanine
| [Purification Methods]
Distil the isothiocyanate over a small amount of P2O5, whereby the distillate crystallises in prisms. It is readily hydrolysed by H2O to give benzamide and benzoylurea, but with NH3 it gives benzoylurea m 210o which can be recrystallised from EtOH. [Hill & Degnan J Am Chem Soc 62 1595 1940, Terss & McEwen J Am Chem Soc 76 580 1954, Frank & Smith Org Synth Coll Vol III 735 1955, Beilstein 9 IV 777.] |
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