CAS 4524-77-0 2-Bromo-4,6-dichlorophenol (HCID 20617)

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Basic information

CAS: 4524-77-0
Standard SMILES: Oc1c(Cl)cc(Cl)cc1Br
InChIKey: FRPHJINKMDMSPH-UHFFFAOYSA-N
Molecular formula: C6H3BrCl2O
Average molar mass: 241.89 g/mol
Monoisotopic mass: 239.87443218

Names & identifiers

Preferred name: 2-Bromo-4,6-dichlorophenol
IUPAC: 2-bromo-4,6-dichlorophenol
English name: 2-bromo-4,6-dichlorophenol
Molecular formula: C6H3BrCl2O
Molecular weight: 241.9

Names & synonyms

2-Bromo-4,6-dichlorophenol4524-77-0Phenol, 2-bromo-4,6-dichloro-6-BROMO-2,4-DICHLOROPHENOL3R47HFR4HDEINECS 224-855-6NSC 99829NSC-99829DTXSID50196447RefChem:85695DTXCID60118938224-855-6

Show more names

2,4-Dichloro-6-bromophenol2-bromo-4，6-dichlorobenzenephenol

MFCD004745182-Bromo-4,6-dichloro-phenolNSC99829UNII-3R47HFR4HDSCHEMBL2417306EAA52477SBB080004STL066606

Database identifiers

CAS: 4524-77-0
PubChem CID: 20617
DTXSID: DTXSID50196447
UNII: 3R47HFR4HD
EC Number: 224-855-6
Nikkaji: J95.389J

Properties

Computed structural properties

XLogP: 3.8
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: 122

Experimental & physicochemical properties

SpringerMaterials PropertiesBoiling point

Physicochemical properties

Melting point: 67 · 67-69℃
Boiling point: 240 ℃ · 240℃
Density: 1.89 · 1.890
refractive index: 1.559 · 1.5590 (estimate)
Flash point: 99 ℃ · 99℃
storage temp.: Sealed in dry,Room Temperature
FDA UNII: 3 R47HFR4HD · 3R47HFR4HD
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 280 · P280-P305+P351+P338-P310

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 7 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.