4-BROMOPHENYL ISOTHIOCYANATE Property

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

InChIKey

XQACWEBGSZBLRG-UHFFFAOYSA-N

CAS DataBase Reference

1985-12-2(CAS DataBase Reference)

Safety

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

Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Danger

Hazard statements

H302Harmful if swallowed

H312Harmful in contact with skin

H314Causes severe skin burns and eye damage

H315Causes skin irritation

H318Causes serious eye damage

H319Causes serious eye irritation

H331Toxic if inhaled

H334May cause allergy or asthma symptoms or breathing difficulties if inhaled

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P303+P361+P353IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P309IF exposed or if you feel unwell:

P310Immediately call a POISON CENTER or doctor/physician.

P342+P311IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.

4-BROMOPHENYL ISOTHIOCYANATE Chemical Properties,Usage,Production

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.]