3-Bromophenyl isothiocyanate

3-Bromophenyl isothiocyanate - Names and Identifiers

Name	3-Bromophenyl isothiocyanate
Synonyms	BRN 2081173 3-Bromophenyl isothiocyate m-Bromophenyl isothiocyanate 3-Bromophenyl isothiocyanate 1-bromo-3-isothiocyanato-benzen 1-bromo-3-isothiocyanatobenzene 1-Bromo-3-isothiocyanatobenzene Benzene, 1-bromo-3-isothiocyanato- isothiocyanicacid,m-bromophenylester Isothiocyanic acid, m-bromophenyl ester 3-12-00-01427 (Beilstein Handbook Reference)
CAS	2131-59-1
EINECS	626-323-2
InChI	InChI=1/C7H4BrNS/c8-6-2-1-3-7(4-6)9-5-10/h1-4H

3-Bromophenyl isothiocyanate - Physico-chemical Properties

Molecular Formula	C7H4BrNS
Molar Mass	214.08
Density	1.50
Melting Point	26 °C
Boling Point	256 °C
Flash Point	>110°C
Water Solubility	24.41mg/L(25 ºC)
Vapor Presure	0.0253mmHg at 25°C
Appearance	powder to crystal
Color	White to Almost white
BRN	2081173
Storage Condition	Room Temprature
Sensitive	Moisture Sensitive
Refractive Index	1.685
MDL	MFCD00004803

3-Bromophenyl isothiocyanate - Risk and Safety

Risk Codes	R36/37/38 - Irritating to eyes, respiratory system and skin. R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R42 - May cause sensitization by inhalation
Safety Description	S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S36/37 - Wear suitable protective clothing and gloves. S22 - Do not breathe dust.
UN IDs	2810
WGK Germany	3
RTECS	NX8350000
HS Code	29309099
Hazard Class	6.1
Packing Group	III

3-Bromophenyl isothiocyanate - Introduction

3-bromophene isothiocyanate (3-bromophene isothiocyanate) is an organic compound with the chemical formula C7H4BrNS. The following is an introduction to its nature, use, preparation and safety information:

Nature:
-Appearance: 3-Bromophenyl isothiocyanate is a colorless to light yellow solid.
-Solubility: It is soluble in organic solvents such as ethanol, ether and dichloromethane.
-Melting point: Its melting point is 48-52 ° C.

Use:
3-Bromophenyl isothiocyanate is commonly used as a reagent in organic synthesis and can be used to synthesize compounds containing isothiocyanate groups, such as compounds containing phenyl isothiocyanate groups. In addition, it can also be used as an analytical reagent and intermediate in organic synthesis.

Method:
3-Bromophenyl isothiocyanate is usually prepared by reacting bromophenyl isothiocyanate with a nucleophile. The specific preparation method is as follows:
1. First, the bromophenyl isothiocyanate is reacted with a nucleophile to generate the target product 3-Bromophenyl isothiocyanate.
2. The reaction is usually carried out at low temperature and under the protection of inert gas.
3. After the reaction, the target product is purified by crystallization or column chromatography.

Safety Information:
- 3-Bromophenyl isothiocyanate may be irritating to the skin, eyes and mucous membranes. Protective measures should be taken after contact and safe operation should be paid attention.
-use should avoid direct inhalation of its dust or vapor, to ensure good laboratory ventilation.
-In storage and handling, should be away from high temperature, fire and oxidant.
-In the event of an accident or discomfort, consult a doctor immediately and show the Material Safety Data Sheet to the doctor.

Last Update：2024-04-10 22:29:15