4-Bromo-3,5-dichlorophenol

HCID 821699

Notes Reactions

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Basic information

CAS: 1940-28-9
Standard SMILES: Oc1cc(Cl)c(Br)c(Cl)c1
InChIKey: WESPEUKZHWMEIQ-UHFFFAOYSA-N
Molecular formula: C6H3BrCl2O
Average molar mass: 241.89 g/mol
Monoisotopic mass: 239.87443

Names & identifiers

Preferred name: 4-Bromo-3,5-dichlorophenol
IUPAC: 4-bromo-3,5-dichlorophenol
English name: Phenol, 4-broMo-3,5-dichloro-
Molecular formula: C6H3BrCl2O
Molecular weight: 241.9

Names & synonyms

4-bromo-3,5-dichlorophenol1940-28-9DTXSID10356323RefChem:290797DTXCID80307382Phenol, 4-bromo-3,5-dichloro-MFCD018301143,5-dichloro-4-bromophenol4-bromo-3,5-dichloro-phenolSCHEMBL2036113WESPEUKZHWMEIQ-UHFFFAOYSA-NBAA94028

Show more names

XH0776AKOS024236023BS-25458CS-0108465C91269AA-516/12432183F617281

Database identifiers

CAS: 1940-28-9
PubChem CID: 821699
DTXSID: DTXSID10356323
Nikkaji: J1.923.594G

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 110

Physicochemical properties

Melting point: 121 · 121-123 °C
Boiling point: 304.4 · 304.4±37.0 °C(Predicted)
Density: 1.89 · 1.890±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, stored under nitrogen
pka: 7.49 · 7.49±0.23(Predicted)
Appearance: Off-white to light brown Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319
Precautionary statements: 264 · P264-P270-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P501

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319
Precautionary statements: P264-P270-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P501