3-Bromo-4-hydroxybenzoic acid
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3-Bromo-4-hydroxybenzoic acid
structure -
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CAS No:
14348-41-5
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Formula:
C7H5BrO3
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Chemical Name:
3-Bromo-4-hydroxybenzoic acid
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Synonyms:
Benzoic acid,3-bromo-4-hydroxy-;3-Bromo-4-hydroxybenzoic acid;m-Bromo-p-hydroxybenzoic acid
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CAS No:
Description
Off-white powder
3-bromo-4-hydroxybenzoic acid is a monohydroxybenzoic acid that is 4-hydroxybenzoic acid carrying an additional bromo substituent at position 3. It has a role as an algal metabolite and a bacterial xenobiotic metabolite. It is a monohydroxybenzoic acid and a member of bromobenzenes. It derives from a benzoic acid. It is a conjugate acid of a 3-bromo-4-hydroxybenzoate.
Characteristics
57.5
2.1
1.861±0.06 g/cm3(Predicted)
177 °C
338.9±32.0 °C(Predicted)
158.8±25.1 °C
1.655
Safety Information
III
6.1
2811
3
22-41
26-39
Xi,Xn
P280-P305 + P351 + P338
H302-H318
|Danger|H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501|Aggregated GHS information provided by 40 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3-Bromo-4-hydroxybenzoic acid Use and Manufacturing
Environmental transformation -> Pesticide transformation products (metabolite, successor)
3-bromo-4-hydroxybenoic acid is a known environmental transformation product of Bromoxynil.
Computed Properties
Molecular Weight:217.02
XLogP3:2.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:215.94221
Monoisotopic Mass:215.94221
Topological Polar Surface Area:57.5
Heavy Atom Count:11
Complexity:160
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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