ChemicalBook--->CAS DataBase List--->5411-50-7

5411-50-7

5411-50-7 Structure

5411-50-7 Structure
IdentificationBack Directory
[Name]

NSC10978
[CAS]

5411-50-7
[Synonyms]

NSC10978
2-DIBROMO-4-NITROBENZENE
1,2-dibroMo-4-nitrobenzen
Benzene, 1,2-dibromo-4-nitro-
[Molecular Formula]

C6H3Br2NO2
[MDL Number]

MFCD00055373
[MOL File]

5411-50-7.mol
[Molecular Weight]

280.903
Chemical PropertiesBack Directory
[Melting point ]

58.5°C
[Boiling point ]

296°C (rough estimate)
[density ]

2.2414 (rough estimate)
[refractive index ]

1.6400 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

solid
[color ]

White
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
[HS Code ]

2904990090
Raw materials And Preparation ProductsBack Directory
[Raw materials]

1-Bromo-4-nitrobenzene-->4-Nitrophthalic acid
Hazard InformationBack Directory
[Chemical Properties]

Yellow needle-shaped or flaky crystals. Melting point 58-59°C, boiling point 296°C, 180°C (2.66 kPa), relative density 2.354 (8/4°C), refractive index 1.9853 (111°C). Soluble in ethanol, benzene, and acetic acid, insoluble in water. Can sublime and evaporate with water vapor.
[Synthesis]

4-Nitrophthalic acid

610-27-5

NSC10978

5411-50-7

The general procedure for the synthesis of 1,2-dibromo-4-nitrobenzene from 4-nitrophthalic acid was as follows: 4-nitrophthalic acid (1 mmol), bromoisocyanuric acid ester, additives, and solvent (10 ml) were added to a round-bottom flask equipped with a Dimroth condenser (cooled to 10°C). The reaction mixture was heated under magnetic stirring in an oil bath at 120 °C for 60 h under fluorescent room light irradiation (FL). Upon completion of the reaction, the cooled mixture was filtered through a short silica gel pad, washed with 1 M aqueous Na2SO3 solution, dried over Na2SO4, filtered and concentrated in vacuum to give the crude product 1,2-dibromo-4-nitrobenzene. The crude product can be further purified by silica gel chromatography. The experimental results are detailed in Table 6.

[References]

[1] Patent: WO2017/60905, 2017, A1. Location in patent: Paragraph 00164
Spectrum DetailBack Directory
[Spectrum Detail]

NSC10978(5411-50-7)MS
NSC10978(5411-50-7)1HNMR
NSC10978(5411-50-7)13CNMR
NSC10978(5411-50-7)IR1
NSC10978(5411-50-7)IR2
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