4-Bromo-2-methylanisole
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4-Bromo-2-methylanisole
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CAS No:
14804-31-0
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Formula:
C8H9BrO
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Chemical Name:
4-Bromo-2-methylanisole
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Synonyms:
Benzene,4-bromo-1-methoxy-2-methyl-;Anisole,4-bromo-2-methyl-;4-Bromo-1-methoxy-2-methylbenzene;2-Methoxy-5-bromotoluene;5-Bromo-2-methoxytoluene;4-Bromo-2-methylanisole;1-Bromo-4-methoxy-3-methylbenzene;1-Methoxy-2-methyl-4-bromobenzene;1-Bromo-3-methyl-4-methoxybenzene
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CAS No:
Characteristics
9.2
3.5
colorless to light yellow liquid
1.378±0.06 g/cm3 (20 ºC 760 Torr)
67.5-68.5 °C
126-128 °C @ Press: 10 Torr
124-125°C/25mm
1.535
0.125mmHg at 25°C
Safety Information
NONH for all modes of transport
3
24/25
Xi
Irritant
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 3 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-Bromo-2-methylanisole Use and Manufacturing
General procedure: 1 mL [Bmim]NO3, 0.5 mmolsubstrate and 0.25 mmol Br2 were added to a dried 45 mL tube equipped witha magnetic stirring (note: the air in the tube was not removed). Then thereaction tube was sealed to perform the reaction at 80 C for 24 h. Once thereaction time was reached, the mixture was cooled to room temperature and3 mL water was added. Then the desired product was extracted with CH2Cl2(3 10 mL). GC analysis of the mixture provided the GC yield of the product.The product in another parallel experiment was purified by columnchromatography, and identified by 1H NMR and 13C NMR.
Computed Properties
Molecular Weight:201.06
XLogP3:3.5
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:199.98368
Monoisotopic Mass:199.98368
Topological Polar Surface Area:9.2
Heavy Atom Count:10
Complexity:105
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
