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1-Bromo-2-chloro-4-nitrobenzene

1-Bromo-2-chloro-4-nitrobenzene structure

CAS No:
29682-39-1
Formula:
C6H3BrClNO2
Chemical Name:
1-Bromo-2-chloro-4-nitrobenzene
Synonyms:
Benzene,1-bromo-2-chloro-4-nitro-;1-Bromo-2-chloro-4-nitrobenzene;3-Chloro-4-bromonitrobenzene;4-Bromo-3-chloronitrobenzene
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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1-Bromo-2-chloro-4-nitrobenzene Basic Attributes

Molecular Weight：

236.45

Exact Mass：

236.45

BRN：

2253107

EC Number：

249-773-8

DSSTox ID：

DTXSID70183839

HScode：

2904909090

Characteristics

PSA：

45.8

XLogP3：

3.2

Density：

1.827 g/cm3

Melting Point：

59-62°C

Boiling Point：

282.2°C at 760 mmHg

Flash Point：

124.5ºC

Refractive Index：

1.618

Vapor Pressure：

0.0058mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

2811

hazard class code：

20/21/22-33-36/37/38

safety instructions：

26-36/37/39

Precautionary statement(s)：

P260, P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P314, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Danger|H302 (83.33%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P314, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 6 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Mobility：

398.11 L/kg

1-Bromo-2-chloro-4-nitrobenzene Use and Manufacturing

oro-4-nitroaniline (5 g, 28.9 mmol), copper bromide (7.73 g, 34.7 mmol), and acetonitrile (80 mL) were added to a 25 mL single-mouth bottle, and stirred for 5 minutes under ice bath, and n-pentyl nitrite (6.76 g, 57.8 mmol) was weighed and added to acetonitrile (20 mL). And then the obtained mixture was added dropwise to the reaction solution under ice bath, and then reacted for 30 minutes under ice bath. The reaction mixture was naturally warmed to room temperature and allowed to react overnight. Water (100 mL) was added, and the mixture was extracted with ethyl acetate (100 mL33), washed with water (100 mL), washed with saturated sodium chloride (100 mL), dried over anhydrous sodium sulfate, and concentrated in vacuo to give the product of 1-bromo-2 -chloro-4 nitrobenzene (yellow solid, 5.68 g), with a yield of 82.9%.General procedure: A 25 mL round bottom flask equipped with Dimroth condenser (chilled to 10 C) was charged with nitroarenecarboxylic acid ArC02H (1.8 mmol), chloroisocyanurate, brominating agent and solvent (8 mL). The mixture was stirred and heated in an oil bath under fluorescent room light irradiation (FL). The cooled reaction mixture was filtered through short silica gel pad, washed with 1 M aq Na2S03, dried over Na2S04, filtered and concentrated in vacuo to obtain bromonitroarene ArBr. The obtained product contained between 1-5% of the corresponding chloronitroarene ArCl as a by-product. The results are presented in Table 2. Table 2. Bromodecarboxylation of nitroarenecarboxylic acids ArC02H a

Computed Properties

Molecular Weight:236.45
XLogP3:3.2
Hydrogen Bond Acceptor Count:2
Exact Mass:234.90357
Monoisotopic Mass:234.90357
Topological Polar Surface Area:45.8
Heavy Atom Count:11
Complexity:161
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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1-Bromo-2-chloro-4-nitrobenzene

CAS No.: 29682-39-1

Content: 99.00%

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CAS No.: 29682-39-1

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Guide of 1-Bromo-2-chloro-4-nitrobenzene

Basic Attributes
Characteristics
Safety Information
Toxicity
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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1-Bromo-2-chloro-4-nitrobenzene

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