3-Bromo-4,5-dihydroxybenzoic acid
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3-Bromo-4,5-dihydroxybenzoic acid
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CAS No:
61203-46-1
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Formula:
C7H5BrO4
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Chemical Name:
3-Bromo-4,5-dihydroxybenzoic acid
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Synonyms:
Benzoic acid,3-bromo-4,5-dihydroxy-;Protocatechuic acid,5-bromo-;3-Bromo-4,5-dihydroxybenzoic acid;5-Bromoprotocatechuic acid
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CAS No:
Description
3-bromo-4,5-dihydroxybenzoic acid is a dihydroxybenzoic acid that is 4,5-dihydroxybenzoic acid carrying an additional bromo substituent at position 3. It has a role as an algal metabolite and a marine xenobiotic metabolite. It is a member of bromobenzenes and a dihydroxybenzoic acid. It derives from a benzoic acid. It is a conjugate acid of a 3-bromo-4,5-dihydroxybenzoate.
3-Bromo-4,5-dihydroxybenzoic acid Basic Attributes
233.0162
233.02
262-652-4
DTXSID60210123
2918290000
Characteristics
77.8
1.7
2.026g/cm3
218-219 °C @ Solvent: Acetic acid
395.5ºC at 760 mmHg
193ºC
1.703
Safety Information
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 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:233.02
XLogP3:1.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:231.93712
Monoisotopic Mass:231.93712
Topological Polar Surface Area:77.8
Heavy Atom Count:12
Complexity:184
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-Bromo-4,5-dihydroxybenzoic acid
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