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%
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.)
SMILES string
Cc1ccc(Br)c(c1)[N+]([O-])=O
InChI
1S/C7H6BrNO2/c1-5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3
InChI key
UPBUTKQMDPHQAQ-UHFFFAOYSA-N
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.
Signal Word
Warning
Hazard Codes
Precautionary Statements
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 (personal protective equipment)
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
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