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4-Bromo-2-chloroaniline

4-Bromo-2-chloroaniline structure

CAS No:
38762-41-3
Formula:
C6H5BrClN
Chemical Name:
4-Bromo-2-chloroaniline
Synonyms:
Benzenamine,4-bromo-2-chloro-;Aniline,4-bromo-2-chloro-;4-Bromo-2-chlorobenzenamine;2-Chloro-4-bromoaniline;4-Bromo-2-chloroaniline;4-Bromo-2-chlorophenylamine
Categories:
Organic Chemistry > Amides

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Description

SLIGHTLY YELLOW TO LIGHT BROWN CRYSTALLINE POWDER

4-Bromo-2-chloroaniline Basic Attributes

Molecular Weight：

206.47

Exact Mass：

206.47

BRN：

3117740

EC Number：

254-118-4

HScode：

2921420090

Characteristics

PSA：

XLogP3：

Appearance：

Slightly yellow to light brown Crystalline Powder

Density：

1.7±0.1 g/cm3

Melting Point：

70.5-72 °C

Boiling Point：

241.8°C at 760 mmHg

Flash Point：

100.0±21.8 °C

Refractive Index：

1.638

Storage Conditions：

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Safety Information

Packing level：

I; II; III

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

20/21/22-20/21

safety instructions：

36-23

Marks：

Xn,T,Xi

Hazard note：

Toxic

Stability/Shelf Life：

Stable at room temperature in closed containers under normal storage and handling conditions.

Precautionary statement(s)：

P280

Hazard Statements：

H302 + H312 + H332

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501|Aggregated GHS information provided by 46 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-Bromo-2-chloroaniline Use and Manufacturing

A solution of 254 mg (2 mmol) of o-chloroaniline and 143 mg (1.2 mmol) of potassium bromide was added to a 50 ml three-necked flask, Into the AcOH: H2O = 9: 1 10ml solvent, transferred to the constant temperature magnetic stirring water bath, control the temperature of 30 stirring reactionOne hour, 1.8 g (1.8 mmol) of ZnAl-BrO3-LDHs was added slowly in portions 15 minutes before the reaction. After the reaction, use two The reaction mixture was extracted with methyl chloride and the organic phases were combined. Two syrups of silica gel (200-300 mesh) were added to the dichloromethane phase and Dichloromethane was distilled off under reduced pressure and separated by column chromatography (petroleum ether: ethyl acetate = 10: 1 as eluent) To pure product 321 mg. The material was a gray solid with a yield of 78percentGeneral procedure: Catalytic reaction was carried out in a 50 mL two necked round bottom flask, which charged with 0.05 g of catalyst, substrate (2 mmol) in acetic acid (5 mL) and KBr (2.2 mmol). 30percent H2O2 (2.2 mmol) was then added drop wise to the reaction mixture. The content in the flask was stirred continuously at room temperature. After specified time of the reaction, the catalyst was filtered and the solid was washed with ether. The combined filtrates were washed with saturated sodium bicarbonate solution and then shaken with ether in a separating funnel. The organic extract was dried over anhydrous sodium sulfate. The products were analysed by Varian 3400 gas chromatograph equipped with a 30 m CP-SIL8CB capillary column and a Flame Ionization Detector. Identity of the products was also confirmed by using an Agilent GC-MS.

Computed Properties

Molecular Weight:206.47
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:204.92939
Monoisotopic Mass:204.92939
Topological Polar Surface Area:26
Heavy Atom Count:9
Complexity:99.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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