2-Bromo-3-methylbenzoic acid
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2-Bromo-3-methylbenzoic acid
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CAS No:
53663-39-1
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Formula:
C8H7BrO2
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Chemical Name:
2-Bromo-3-methylbenzoic acid
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Synonyms:
Benzoic acid,2-bromo-3-methyl-;m-Toluic acid,2-bromo-;2-Bromo-3-methylbenzoic acid;2-Bromo-m-toluic acid;3-Methyl-2-bromobenzoic acid
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CAS No:
Characteristics
37.3
3.4
Off-white Powder
1.6±0.1 g/cm3
135-137 °C
308.3ºC at 760mmHg
140.2±24.6 °C
1.595
Safety Information
IRRITANT
NONH for all modes of transport
3
36/37/38
22-24/25-37-26
Xi
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 9 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-Bromo-3-methylbenzoic acid Use and Manufacturing
Reference (0142) To a mixture of 1.00 g of 2-amino-3-methylbenzoic acid, 8 mL of acetic acid, 4 mL of 50percent hydrobromic acid and 16 mL of water were added 0.46 g of sodium nitrite and 3 mL of water under ice cooling. After stirring the mixture for 10 minutes under ice cooling, disappearance of 2-amino-3-methylbenzoic acid was confirmed by silica gel thin-layer chromatography (developing solvent: hexane/ethyl acetate=1/1, Rf value of 2-amino-3-methylbenzoic acid: 0.67), then 1.42 g of copper bromide and 5 mL of water were added, and the mixture was heated at 50° C. for 3 hours. Water was added to the mixture, and the resulting mixture was filtered to obtain 1.0 g of 2-bromo-3-methylbenzoic acid. (0143)
Computed Properties
Molecular Weight:215.04
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:213.96294
Monoisotopic Mass:213.96294
Topological Polar Surface Area:37.3
Heavy Atom Count:11
Complexity:158
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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