Benzoyl isothiocyanate
- CAS NO.：532-55-8
- Empirical Formula: C8H5NOS
- Molecular Weight: 163.2
- MDL number: MFCD00004815
- EINECS: 208-540-0
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-08-07 10:33:10
What is Benzoyl isothiocyanate?
Chemical properties
CLEAR YELLOW TO ORANGE-BROWN LIQUID
The Uses of Benzoyl isothiocyanate
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.]
Properties of Benzoyl isothiocyanate
| Melting point: | 128 °C |
| Boiling point: | 128-131 °C/15 mmHg (lit.) |
| Density | 1.214 g/mL at 25 °C (lit.) |
| refractive index | n |
| Flash point: | >230 °F |
| storage temp. | 2-8°C |
| solubility | Chloroform |
| form | Liquid |
| Specific Gravity | 1.214 |
| color | Clear yellow to orange-brown |
| Water Solubility | almost insoluble |
| Sensitive | Moisture Sensitive/Lachrymatory |
| Merck | 14,1114 |
| BRN | 606716 |
| CAS DataBase Reference | 532-55-8(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzoyl isothiocyanate(532-55-8) |
Safety information for Benzoyl isothiocyanate
| Signal word | Danger |
| Pictogram(s) |
 Corrosion Corrosives GHS05  Skull and Crossbones Acute Toxicity GHS06 |
| GHS Hazard Statements |
H301:Acute toxicity,oral H317:Sensitisation, Skin H318:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. |
Computed Descriptors for Benzoyl isothiocyanate
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