4-Bromo-3-hydroxybenzoic acid

HCID 6420973

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Basic information

CAS: 14348-38-0
Standard SMILES: O=C(O)c1ccc(Br)c(O)c1
InChIKey: PAJSESFUWIYFNF-UHFFFAOYSA-N
Molecular formula: C7H5BrO3
Average molar mass: 217.02 g/mol
Monoisotopic mass: 215.94220612

Names & identifiers

Preferred name: 4-Bromo-3-hydroxybenzoic acid
IUPAC: 4-bromo-3-hydroxybenzoic acid
English name: 4-BROMO-3-HYDROXYBENZOIC ACID
Molecular formula: C7H5BrO3
Molecular weight: 217.02

Names & synonyms

4-Bromo-3-hydroxybenzoic acid14348-38-0Benzoic acid, 4-bromo-3-hydroxy-DTXSID20423595RefChem:98124DTXCID80374433630-184-3PAJSESFUWIYFNF-UHFFFAOYSA-N4-bromo-3-hydroxybenzoicacidMFCD08056371p-Brom-m-oxybenzoesaure4-Bromo-3-hydroxy-benzoic acid

Show more names

2-Bromo-5-carboxyphenol3-Hydroxy-4-broMobenzoicacid4-Bromo-3-hydroxybenzoic acid 98%4-Bromo-3-hydroxybenzoic acid, 10 mM in DMSO

s5444AKOS005258209CCG-266697HY-W003445FS-2435PD088077SY0122554-bromo-3-hydroxy benzoic acid

Database identifiers

CAS: 14348-38-0
PubChem CID: 6420973
DTXSID: DTXSID20423595
EC Number: 630-184-3
Nikkaji: J2.034.452K

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 57.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 160

Physicochemical properties

Melting point: 225 · 225-227
Boiling point: 338.6 · 338.6±32.0 °C(Predicted)
Density: 1.861 · 1.861±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
solubility: Soluble in DMSO
form: solid
pka: 3.85 · 3.85±0.10(Predicted)
color: White
InChI: InChI=1S/C7H5BrO3/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,9H,(H,10,11)
InChIKey: PAJSESFUWIYFNF-UHFFFAOYSA-N
SMILES: C(O)(=O)C1=CC=C(Br)C(O)=C1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P271-P280
Hazard Codes: Xi
Hazard Note: Irritant/Keep Cold
HS Code: 2918290090 · 2918290090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.