| Identification | More | [Name]
2-Bromo-5-chloronitrobenzene | [CAS]
41513-04-6 | [Synonyms]
1-BROMO-4-CHLORO-2-NITROBENZENE
2-BROMO-5-CHLORONITROBENZENE
4-Bromo-3-nitrochlorobenzene
1-Bromo-2-nitro-4-chlorobenzene
2-Nitro-4-chlorophenyl bromide
3-Nitro-4-bromophenyl chloride | [EINECS(EC#)]
255-421-4 | [Molecular Formula]
C6H3BrClNO2 | [MDL Number]
MFCD00024320 | [Molecular Weight]
236.45 | [MOL File]
41513-04-6.mol |
| Chemical Properties | Back Directory | [Appearance]
white to light yellow crystal powder | [Melting point ]
67-70 °C(lit.)
| [Boiling point ]
242.5±20.0 °C(Predicted) | [density ]
2.048 g/mL at 25 °C(lit.)
| [refractive index ]
1.6110 (estimate) | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
Chloroform, Methanol | [form ]
Solid | [color ]
Yellow | [BRN ]
1950424 | [InChI]
InChI=1S/C6H3BrClNO2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3H | [InChIKey]
UKTIMFAJRPSNGR-UHFFFAOYSA-N | [SMILES]
C1(Br)=CC=C(Cl)C=C1[N+]([O-])=O | [CAS DataBase Reference]
41513-04-6(CAS DataBase Reference) |
| Questions And Answer | Back Directory | [Uses]
1-Bromo-4-chloro-2-nitrobenzene is used in the synthesis of diindolocarbazoles used in the synthesis of ladder oligo(p-aniline)s useful in organic electronics. Also used in the synthesis of novel benzenesulfonamides for the discovery of potent cell cycle inhibitors. | [Description]
2-Bromo-5-chloronitrobenzene is an organic compound, the molecular formula is C6H3BrClNO2. It is white to off-white crystal powder.
| [Uses]
2-bromo-4-methylpropiophenone employed as an important intermediate for raw material for organic synthesis, agrochemical, pharmaceutical and dyestuff field. Specifically, this chemical can act as the intermediate in the synthesis of 4-methyl methcathinone HCl (mephedrone HCl or 4-MMC HCl), which is used as the sample for development and validation of a presumptive color spot test method for the detection of piperazine analogues in seizing illicit materials.
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| Safety Data | Back Directory | [Hazard Codes ]
Xi,Xn | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S22:Do not breathe dust . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HS Code ]
29049090 |
| Hazard Information | Back Directory | [Chemical Properties]
white to light yellow crystal powder | [Synthesis]
General procedure for the synthesis of 2-bromo-5-chloronitrobenzene from 4-chloro-2-nitrobenzoic acid: In a 25 mL round-bottomed flask, fitted with a Dimroth condenser (cooled to 10 °C), 4-chloro-2-nitrobenzoic acid (1.8 mmol), chloroisocyanuric acid ester, brominating agent and solvent (8 mL) were added. The reaction mixture was stirred and heated in an oil bath under fluorescent room light (FL) irradiation. Upon completion of the reaction, the cooled mixture was filtered through a short silica gel pad, washed with 1 M aqueous Na2SO3, dried over anhydrous Na2SO4, filtered and concentrated in vacuum to give 2-bromo-5-chloronitrobenzene. The product may contain 1-5% of 2-chloro-5-nitrobenzene as a by-product. The experimental results are detailed in Table 2. Table 2. Results of bromocarboxylation of nitroaromatic carboxylic acids | [References]
[1] Patent: WO2017/60906, 2017, A1. Location in patent: Paragraph 00122
[2] Journal of Organic Chemistry, 2016, vol. 81, # 7, p. 2794 - 2803
[3] Organic and Biomolecular Chemistry, 2018, vol. 16, # 30, p. 5416 - 5421 |
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