3-Bromo-5-methylbenzenamine
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3-Bromo-5-methylbenzenamine
structure -
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CAS No:
74586-53-1
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Formula:
C7H8BrN
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Chemical Name:
3-Bromo-5-methylbenzenamine
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Synonyms:
Benzenamine,3-bromo-5-methyl-;3-Bromo-5-methylbenzenamine;3-Bromo-5-methylaniline;(3-Bromo-5-methylphenyl)amine
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CAS No:
Characteristics
26
2.3
Brown Powder
1.5±0.1 g/cm3
150-151 °C @ Press: 15 Torr
111.7±21.8 °C
1.609
Slightly soluble in water.
Safety Information
6.1
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501
H302
|Warning|H302 (95.45%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, 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 22 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3-Bromo-5-methylbenzenamine Use and Manufacturing
3-bromo-5-methylaniline (1): To a solution of l-bromo-3-methyl-5 -nitrobenzene (5 g, 23.1 mmol) in dioxane/water (3: 1; 40 mL), zinc dust (15 g, 231 mmol) was added followed by the addition of ammonium chloride (12.3 g, 231 mmol). The reaction mixture was stirred at room temperature for 4 h. After completion of the reaction, the reaction mixture was diluted with water and extracted with ethyl acetate. The organic layer was dried over anhydrous sodium sulfate and concentrated under reduced pressure to afford 1 (4.0 g, 93percent) as a brown solid. MS m/z (M+H): 186.2
Computed Properties
Molecular Weight:186.05
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:184.98401
Monoisotopic Mass:184.98401
Topological Polar Surface Area:26
Heavy Atom Count:9
Complexity:94.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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