5-Bromo-2-methylbenzoic acid
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5-Bromo-2-methylbenzoic acid
structure -
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CAS No:
79669-49-1
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Formula:
C8H7BrO2
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Chemical Name:
5-Bromo-2-methylbenzoic acid
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Synonyms:
5-BROMO-2-METHYLBENZOIC ACID,98%;5-Bromo-2-methylbenzoic acid ,97%;2,3,4,6-tetrakis-O-triMethylsilyl-D-guluconolactone;5-Bromo-o-toluic acid, 4-Bromo-2-carboxytoluene;5 - broMine - 2 - Methyl benzoic acid;5-Bromo-2-methylbenzoic acid 97%;5-Bromo-2-methylbenzoic acid≥ 99% (HPLC);5-BROMO-2-METHYLBENZOIC ACID
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CAS No:
5-Bromo-2-methylbenzoic acid Basic Attributes
215.04
213.962936
1308068-626-2
403996
DTXSID50323433
2916399090
Characteristics
37.3
2.5
white or reddish powder
1.6±0.1 g/cm3
167-171°C
319.4°C at 760 mmHg
147.0±24.6 °C
1.595
Safety Information
IRRITANT
UN28116.1/PG3
3
22-36/37/38
26
Xi,Xn
P261-P305 + P351 + P338
H302-H315-H319-H335
|Warning|H302 (92.86%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 42 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
5-Bromo-2-methylbenzoic acid Use and Manufacturing
2-Methylbenzoic acid (40.0 g, 290 mmol) was added to a suspension of Br2-methylbenzoic acid as the starting material, Under the action of metal reagent Fe powder and super acid catalyst trifluoromethanesulfonic acid, Adding a liquid bromine having a molar multiple of 1.05, And the solvent solution of bromine absolute molecular sieve without water pretreatment, Synthesis of intermediate 2 5-bromo-2-methyl benzoic acid, the yield of 85percent or more
Computed Properties
Molecular Weight:215.04
XLogP3:2.5
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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