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.