| Identification | More | [Name]
4-Bromo-3-nitrotoluene | [CAS]
5326-34-1 | [Synonyms]
4-BROMO-3-NITROTOLUENE
BROMONITROTOLUENE-4
1-Bromo-4-methyl-2-nitrobenzene
Benzene, 1-bromo-4-methyl-2-nitro-
4-BROMO-3-NITROTOLUENE, TECH., 90%
4-BROMO-3-NITROTOLUENE 99%
1-Nitro-2-bromo-5-methylbenzene | [EINECS(EC#)]
226-203-6 | [Molecular Formula]
C7H6BrNO2 | [MDL Number]
MFCD00024180 | [Molecular Weight]
216.03 | [MOL File]
5326-34-1.mol |
| Chemical Properties | Back Directory | [Appearance]
Low melting solid | [Melting point ]
31-33 °C (lit.) | [Boiling point ]
151.5-152.5 °C/14 mmHg (lit.) | [density ]
1.578 g/mL at 25 °C(lit.)
| [refractive index ]
1.5930 (estimate) | [Fp ]
>230 °F
| [storage temp. ]
Keep in dark place,Inert atmosphere,Room temperature | [form ]
powder to lump to clear liquid | [color ]
White or Colorles to Yellow to Orange | [Specific Gravity]
1.578 | [FreezingPoint ]
29.0 to 33.0 ℃ | [Sensitive ]
Light Sensitive | [BRN ]
1945925 | [InChI]
1S/C7H6BrNO2/c1-5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3 | [InChIKey]
UPBUTKQMDPHQAQ-UHFFFAOYSA-N | [SMILES]
Cc1ccc(Br)c(c1)[N+]([O-])=O | [CAS DataBase Reference]
5326-34-1(CAS DataBase Reference) | [NIST Chemistry Reference]
4-Bromo-3-nitrotoluene(5326-34-1) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H315-H319-H335 | [Precautionary statements ]
P261-P264-P271-P280-P302+P352-P305+P351+P338 | [Hazard Codes ]
Xi,Xn | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R22:Harmful if swallowed.
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:Wear suitable protective clothing and gloves .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S22:Do not breathe dust . | [WGK Germany ]
3
| [HazardClass ]
IRRITANT | [HS Code ]
29049090 | [Storage Class]
10 - Combustible liquids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
Low melting solid | [Uses]
4-Bromo-3-nitrotoluene may be used as a starting material in the synthesis of 2-bromo-5-methylaniline and as a reagent in the synthesis of 2-nitro-4:4′-dimethyl-diphenyl by reacting with p-iodotoluene. | [General Description]
4-Bromo-3-nitrotoluene (2-bromo-5-methylnitrobenzene, 1-bromo-4-methyl-2-nitrobenzene) is a halonitrobenzene. It has been synthesized from 4-methyl-2-nitroaniline and confirmed by 1H NMR. The crystal structure of 1-bromo-4-methyl-2-nitrobenzene is found to be orthorhombic in the Pna21 space group. Its enthalpy of vaporization at boiling point has been determined. | [Synthesis]
To a Silak reaction tube equipped with a magnetic stirrer were sequentially added 6.2 mg of silver sulfate, 36.3 mg of copper acetate, 12.5 mg of 2,9-dimethyl-1,10-o-phenanthroline, 36.2 mg of 4-methyl-2-nitrobenzoic acid, and 30.9 mg of sodium bromide, followed by the addition of 4 mL of dimethyl sulfoxide as a solvent. The reaction mixture was heated and stirred at 160 °C for 24 hours under an oxygen atmosphere. Upon completion of the reaction, the reaction was quenched by addition of appropriate amount of distilled water and extracted three times with ethyl acetate (10 mL each time). The organic phases were combined and concentrated to give 29.8 mg of 4-bromo-3-nitrotoluene in 69% yield. | [References]
[1] Patent: CN107325002, 2017, A. Location in patent: Paragraph 0091
[2] Organic and Biomolecular Chemistry, 2018, vol. 16, # 30, p. 5416 - 5421
[3] Journal of Organic Chemistry, 2016, vol. 81, # 7, p. 2794 - 2803 |
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