424870
4-Bromo-3-nitrotoluene
technical grade, 90%
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About This Item
Linear Formula:
CH3C6H3(NO2)Br
CAS Number:
Molecular Weight:
216.03
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
226-203-6
MDL number:
Assay:
90%
InChI key
UPBUTKQMDPHQAQ-UHFFFAOYSA-N
InChI
1S/C7H6BrNO2/c1-5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3
SMILES string
Cc1ccc(Br)c(c1)[N+]([O-])=O
grade
technical grade
assay
90%
bp
151.5-152.5 °C/14 mmHg (lit.)
mp
31-33 °C (lit.)
density
1.578 g/mL at 25 °C (lit.)
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.
Application
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.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
10 - Combustible liquids
wgk
WGK 3
flash_point_f
235.4 °F - closed cup
flash_point_c
113 °C - closed cup
ppe
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Regulatory Information
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Biaryl Product Formation from Cross-coupling in Palladiumcatalyzed Borylation of a Boc Protected Aminobromoquinoline Compound.
Fang H, et al.
Molecules (Basel), 9(3), 178-184 (2004)
1-Bromo-4-methyl-2-nitrobenzene.
Li P, et al.
Acta Crystallographica Section E, Structure Reports Online, 67(10), 2641-2641 (2011)
Yaws CL.
Thermophysical Properties of Chemicals and Hydrocarbons, 537-537 (2014)
Orientation effects in the diphenyl series. Part XII. The mono-and the di-nitration of 4: 4'-dimethyldiphenyl.
Marler EEJ and Turner EE.
Journal of the Chemical Society, 2391-2394 (1932)
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