4-BROMOPHENYL ISOTHIOCYANATE
- CAS NO.：1985-12-2
- Empirical Formula: C7H4BrNS
- Molecular Weight: 214.08
- MDL number: MFCD00004808
- EINECS: 628-470-8
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-04-23 13:52:06
What is 4-BROMOPHENYL ISOTHIOCYANATE?
Chemical properties
white to light yellow crystalline powder
The Uses of 4-BROMOPHENYL ISOTHIOCYANATE
4-Bromophenyl isothiocyanate was used in the synthesis of 1-(4-bromophenyl)-3-ethyl-(1,2-dideoxy-D-glycero-α-D-galacto-heptofurano)[2,1-d]imidazolidine-2-thione.
Purification Methods
Recrystallise the isothiocyanate from boiling n-hexane. Any insoluble material is most probably the corresponding urea. It is also purified by steam distillation, cool the receiver, add NaCl and extract in Et2O, wash the extract with N H2SO4, dry (MgSO4), evaporate and recrystallise the residual solid. [Cymerman-Craig et al. Org Synth Coll Vol IV 700 1963, cf Dains et al. Org Synth Coll Vol I 447 1941, Beilstein 6 IV 1051, 12 II 354, 12 III 1463p, 12 IV 1519.]
Properties of 4-BROMOPHENYL ISOTHIOCYANATE
| Melting point: | 56-58 °C (lit.) |
| Boiling point: | 144-145 °C (5 mmHg) |
| Density | 1.7158 (rough estimate) |
| refractive index | 1.6070 (estimate) |
| Flash point: | >110°C |
| storage temp. | Refrigerator (+4°C) |
| form | powder to crystal |
| color | White to Orange to Green |
| Water Solubility | 11.56mg/L(25 ºC) |
| Sensitive | Moisture Sensitive |
| BRN | 878549 |
| CAS DataBase Reference | 1985-12-2(CAS DataBase Reference) |
Safety information for 4-BROMOPHENYL ISOTHIOCYANATE
| Signal word | Danger |
| Pictogram(s) |
 Corrosion Corrosives GHS05  Skull and Crossbones Acute Toxicity GHS06  Exclamation Mark Irritant GHS07  Health Hazard GHS08 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H312:Acute toxicity,dermal H314:Skin corrosion/irritation H315:Skin corrosion/irritation H318:Serious eye damage/eye irritation H319:Serious eye damage/eye irritation H331:Acute toxicity,inhalation H334:Sensitisation, respiratory H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P309:IF exposed or if you feel unwell: P310:Immediately call a POISON CENTER or doctor/physician. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P342+P311:IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician. |
Computed Descriptors for 4-BROMOPHENYL ISOTHIOCYANATE
| InChIKey | XQACWEBGSZBLRG-UHFFFAOYSA-N |
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