CAS 7355-22-8 5-Bromo-2,4-dihydroxybenzoic acid (HCID 81814)

Substructure search Find similar structures

Basic information

CAS: 7355-22-8
Standard SMILES: O=C(O)c1cc(Br)c(O)cc1O
InChIKey: ZRBCISXJLHZOMS-UHFFFAOYSA-N
Molecular formula: C7H5BrO4
Average molar mass: 233.02 g/mol
Monoisotopic mass: 231.93712

Names & identifiers

Preferred name: 5-Bromo-2,4-dihydroxybenzoic acid
IUPAC: 5-bromo-2,4-dihydroxybenzoic acid
English name: 5-Bromo-2,4-dihydroxybenzoic acid
Molecular formula: C7H5BrO4
Molecular weight: 233.02

Names & synonyms

5-Bromo-2,4-dihydroxybenzoic acid7355-22-8Benzoic acid, 5-bromo-2,4-dihydroxy-EINECS 230-881-9NSC 60106DTXSID8064640RefChem:102102DTXCID3047556230-881-9InChI=1/C7H5BrO4/c8-4-1-3(7(11)12)5(9)2-6(4)10/h1-2,9-10H,(H,11,12ZRBCISXJLHZOMS-UHFFFAOYSA-N2,4-Dihydroxy-5-bromobenzoic acid

Show more names

5-Bromo-§LABOTEST-BB LT004549555-Bromo-B-resorcylic acid5-bromo-á-resorcylic acid5-Bromo-beta-resorcyclic acid2 4-DIHYDROXY-5-BROMOBENZOIC ACID

MFCD000024525-Bromo-beta-resorcylic acid5-bromo-2,4-dihydroxy-benzoic acid5-Bromo-.beta.-resorcylic acid.beta.-Resorcylic acid, 5-bromo-NSC-60106beta-Resorcylic acid, 5-bromo-NSC60106

Database identifiers

CAS: 7355-22-8
PubChem CID: 81814
DTXSID: DTXSID8064640
ChEMBL: CHEMBL1253288
UNII: 2JCC55Z2VF
EC Number: 230-881-9
Nikkaji: J212.352E

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 77.8 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 184

Physicochemical properties

Melting point: 208 · 208-210°C
Boiling point: 436.7 · 436.7±30.0 °C(Predicted)
Density: 2.026 · 2.026±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 2.83 · 2.83±0.10(Predicted)
BRN: 2967526 · 2967526
CAS DataBase Reference: 7355 · 7355-22-8(CAS DataBase Reference)
EPA Substance Registry System: 5 · Benzoic acid, 5-bromo-2,4-dihydroxy- (7355-22-8)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38-36
Safety Statements: 26 · 26-36/37/39