3-Bromo-4-methylbenzoic acid
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3-Bromo-4-methylbenzoic acid
structure -
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CAS No:
7697-26-9
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Formula:
C8H7BrO2
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Chemical Name:
3-Bromo-4-methylbenzoic acid
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Synonyms:
Benzoic acid,3-bromo-4-methyl-;p-Toluic acid,3-bromo-;3-Bromo-4-methylbenzoic acid;4-Methyl-3-bromobenzoic acid;3-Bromo-p-toluic acid;NSC 243715;3-Bromo-4-methylbenzenecarboxylic acid
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CAS No:
3-Bromo-4-methylbenzoic acid Basic Attributes
215.04
215.04
231-712-1
243715
DTXSID60227751
2916399090
Characteristics
37.3
2.5
white or reddish powder
1.6±0.1 g/cm3
209.5-210 °C @ Solvent: Ethanol
329.8ºC at 760 mmHg
153.3±24.6 °C
1.595
Soluble in methanol. Insoluble in water.
Room temperature.
Safety Information
Ⅲ
2811
3
6.1
S26-S37
Xn:Harmful;
P261-P301 + P310-P305 + P351 + P338
H301-H315-H319-H335
|Danger|H301 (84.78%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, 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 46 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
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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