3-Bromo-4-methoxybenzonitrile
-
3-Bromo-4-methoxybenzonitrile
structure -
-
CAS No:
117572-79-9
-
Formula:
C8H6BrNO
-
Chemical Name:
3-Bromo-4-methoxybenzonitrile
-
Synonyms:
Benzonitrile,3-bromo-4-methoxy-;3-Bromo-4-methoxybenzonitrile;3-Bromo-4-(methyloxy)benzonitrile
- Categories:
-
CAS No:
Characteristics
33
2.3
1.56±0.1 g/cm3(Predicted)
122 °C
282.8±20.0 °C(Predicted)
124.9±21.8 °C
1.584
Soluble in methanol.
0.00328mmHg at 25°C
Safety Information
III
6.1
3439
3
20/21/22-36/37/38-52
26-36
Xn,Xi
Harmful/Irritant
P261-P280-P305 + P351 + P338
H302-H312-H315-H319-H332-H335
|Warning|H302 (97.67%): 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 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3-Bromo-4-methoxybenzonitrile Use and Manufacturing
A mixture of 3-bromo-4-hydroxybenzonitrile (5.0 g, 25.3 mmol), potassium carbonate (7.0 g, 50.1 mmol) and iodomethane (3.9 g, 2, 7.8 mmol) in acetonitriie (20 ml) was stirred at 25°C for 6 hours. TLC showed the reaction was complete. The mixture was paititioned between etliyl acetate (100 mi) and water (30 ml). The organic layer was collected, washed with brine (20 ml), dried over anhydrous sodium sulfate, and concentrated under reduced pressure to give a crude residue which was purified by silica gel flash chromatography (eluted 30percent ethyl acetate in hexane) to afford 3-bromo-4-methoxybenzonitrile (4.8 g, 22.6 mmol, yield 89percent).Isopropylmagnesium chloride (2 M solution in THF; 2.36 mL; 4.72 mmol) was added to an ice-cooled solution of Isopropylmagnesium chloride (187 mg, 1 .816 mmol) (2 M solution in THF) was added to a solution of
Computed Properties
Molecular Weight:212.04
XLogP3:2.3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:210.96328
Monoisotopic Mass:210.96328
Topological Polar Surface Area:33
Heavy Atom Count:11
Complexity:174
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Recommended Suppliers of 3-Bromo-4-methoxybenzonitrile
-
![China]()
CN
5 YRS
Business licensedTrader Supplier of Intermediates,Building blocks,API,Silicones,Peptides,Lab chemicals,Biochemicals,Pharmaceuticals,Screening Compounds,Food Additives
Learn More Other Chemicals
-
2-Bromophenacyl bromide, 90%
49851-55-0
-
1H-Indazol-7-ol
81382-46-9
-
6-Chloro-4-forMyl-nicotinic acid
1031433-06-3
-
3-Hydroxy-2,4,5-trifluorobenzoic acid Formula
116751-24-7
-
2-Methyl-1-heptene Formula
15870-10-7
-
1-(3,5-Dinitrophenyl)ethanone Formula
14401-75-3
-
α-Amino-3-bromobenzeneacetic acid Structure
79422-73-4
-
6-(BROMOMETHYL)-1,3-BENZOTHIAZOLE,97% Structure
499770-85-3
-
What is Allyl methacrylate
96-05-9
-
What is ethyl 5-hydroxy-2-Methylnicotinate
60390-47-8