CAS 28165-52-8 2,5-Dibromophenol (HCID 34177)

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Basic information

CAS: 28165-52-8
Standard SMILES: Oc1cc(Br)ccc1Br
InChIKey: GUXWVUVLXIJHQF-UHFFFAOYSA-N
Molecular formula: C6H4Br2O
Average molar mass: 251.9 g/mol
Monoisotopic mass: 249.86289

Names & identifiers

Preferred name: 2,5-Dibromophenol
IUPAC: 2,5-dibromophenol
English name: 2,5-DIBROMOPHENOL
Molecular formula: C6H4Br2O
Molecular weight: 251.9

Names & synonyms

2,5-DIBROMOPHENOL28165-52-8DTXSID40182430RefChem:82776DTXCID50104921631-119-1Phenol, 2,5-dibromo-MFCD01851373SCHEMBL582238CL8456AKOS009158327CS-W019376

Show more names

2,5-Dibromophenol 98%2,5-Dibromophenol 96+%2,5-Dibromo-1-hydroxybenzene2,5-Dibromophenol in isopropanol2,5-Dibromophenol@100 μg/mL in Toluene

AB92988PS-7461AC-25981SY020442EN300-92071Q20923125-dibromophenolAM20040082

Database identifiers

CAS: 28165-52-8
PubChem CID: 34177
DTXSID: DTXSID40182430
EC Number: 631-119-1
Nikkaji: J801.784K

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 97

Physicochemical properties

Melting point: 73 · 73-74 °C
Boiling point: 244.6 · 244.6±20.0 °C(Predicted)
Density: 2.095 · 2.095±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
solubility: Chloroform (Slightly), Methanol (Slightly)
form: powder
pka: 7.47 · 7.47±0.10(Predicted)
color: White
InChI: InChI=1S/C6H4Br2O/c7-4-1-2-5(8)6(9)3-4/h1-3,9H
InChIKey: GUXWVUVLXIJHQF-UHFFFAOYSA-N
SMILES: C1(O)=CC(Br)=CC=C1Br
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HS Code: 2908190090 · 2908190090

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H301 (95.1%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.