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| | 4-Bromophenyl isothiocyanate Basic information |
| | 4-Bromophenyl isothiocyanate Chemical Properties |
| Melting point | 56-58 °C (lit.) | | Boiling point | 144-145 °C (5 mmHg) | | density | 1.7158 (rough estimate) | | refractive index | 1.6070 (estimate) | | Fp | >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 | | InChI | 1S/C7H4BrNS/c8-6-1-3-7(4-2-6)9-5-10/h1-4H | | InChIKey | XQACWEBGSZBLRG-UHFFFAOYSA-N | | SMILES | Brc1ccc(cc1)N=C=S | | CAS DataBase Reference | 1985-12-2(CAS DataBase Reference) |
| Hazard Codes | Xn,Xi,C | | Risk Statements | 20/21/22-36/37/38-42 | | Safety Statements | 22-26-36/37-45 | | RIDADR | 2811 | | WGK Germany | 3 | | RTECS | NX8400000 | | F | 10-21 | | Hazard Note | Harmful/Irritant | | HazardClass | 6.1 | | PackingGroup | III | | HS Code | 29309090 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Resp. Sens. 1
Skin Irrit. 2
STOT SE 3 |
| | 4-Bromophenyl isothiocyanate Usage And Synthesis |
| Chemical Properties | white to light yellow crystalline powder | | Uses | 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.] |
| | 4-Bromophenyl isothiocyanate Preparation Products And Raw materials |
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