1-Bromo-4-methyl-2-nitrobenzene
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1-Bromo-4-methyl-2-nitrobenzene
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CAS No:
5326-34-1
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Formula:
C7H6BrNO2
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Chemical Name:
1-Bromo-4-methyl-2-nitrobenzene
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Synonyms:
Benzene,1-bromo-4-methyl-2-nitro-;Toluene,4-bromo-3-nitro-;1-Bromo-4-methyl-2-nitrobenzene;2-Bromo-5-methylnitrobenzene;4-Bromo-3-nitrotoluene;NSC 289;919522-57-9
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CAS No:
1-Bromo-4-methyl-2-nitrobenzene Basic Attributes
216.03
216.03
1945925
226-203-6
MG8CU54QET
289
DTXSID00201378
2904909090
Characteristics
45.8
2.9
almost colorless crystalline powder
1.6±0.1 g/cm3
30.2-31.2 °C
147-148 °C @ Press: 13 Torr
>230 °F
1.593
Safety Information
IRRITANT
NONH for all modes of transport
3
36/37/38-22-20/21/22
26-36-36/37-36/37/39-22
Xi,Xn
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H302 (13.64%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
1-Bromo-4-methyl-2-nitrobenzene Use and Manufacturing
Silak reaction tube equipped with a magnetic stirrer was charged with 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 2-nitro-4-methylbenzoic acid and 30.9 mg of sodium bromide4 mL of dimethyl sulfoxide.The reaction was heated at 160 ° C for 24 hours in the presence of oxygen.After the reaction was completed, distilled water was added to quench the reaction, Extraction with ethyl acetate 3 times, each time 10mL, The combined organic phases are concentrated, 29.8 mg of 2-nitro-4-methylbromobenzene was obtained in a yield of 69percent.
Computed Properties
Molecular Weight:216.03
XLogP3:2.9
Hydrogen Bond Acceptor Count:2
Exact Mass:214.95819
Monoisotopic Mass:214.95819
Topological Polar Surface Area:45.8
Heavy Atom Count:11
Complexity:157
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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