1-Bromo-3,4,5-trimethoxybenzene
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1-Bromo-3,4,5-trimethoxybenzene
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CAS No:
2675-79-8
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Formula:
C9H11BrO3
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Chemical Name:
1-Bromo-3,4,5-trimethoxybenzene
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Synonyms:
Benzene,5-bromo-1,2,3-trimethoxy-;5-Bromo-1,2,3-trimethoxybenzene;5-Bromopyrogallol trimethyl ether;3,4,5-Trimethoxybromobenzene;3,4,5-Trimethoxyphenyl bromide;1-Bromo-3,4,5-trimethoxybenzene;3,4,5-Trimethoxy-1-bromobenzene;1,2,3-Trimethoxy-5-bromobenzene
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CAS No:
Characteristics
27.7
2.1
off-white crystals
1.4±0.1 g/cm3
112 °C
262.2°C at 760 mmHg
103.7±24.4 °C
1.520
Insoluble in water.
0.018mmHg at 25°C
Safety Information
NONH for all modes of transport
3
R43
S22-S36/37
Xi:Irritant
P280
H317
|Warning|H315 (13.64%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P333+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-3,4,5-trimethoxybenzene Use and Manufacturing
A Schlenk tube was charged with aryl halide (0.67 mmol, 1.0 equiv), aryl boronate ester (0.81 mmol, 1.2 equiv), potassium phosphate or CsF (3.0 equiv), Pd catalyst (0.1 equiv), 2-(dicyclohexylphosphino)biphenyl (0.2 equiv) (co-ligand was used in the presence of Pd(OAc)Synthesis of 3, 4, 5-trimethoxybromobenzene 18
Computed Properties
Molecular Weight:247.09
XLogP3:2.1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:245.98916
Monoisotopic Mass:245.98916
Topological Polar Surface Area:27.7
Heavy Atom Count:13
Complexity:140
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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