4-Bromo-2,5-dichlorophenol

C₆H₃BrCl₂OCAS 1940-42-7241.89 g/mol

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Aryl halide Phenol

Properties

Molecular formula: C₆H₃BrCl₂O
Molar mass: 241.89 g/mol
Exact mass: 239.8744 Da
Melting point: 71–72 °C
logP: 3.46Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation33.3% of notifiers
H413 May cause long lasting harmful effects to aquatic life33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1940-42-7

SMILES

Oc1cc(Cl)c(Br)cc1Cl

InChIKey

HWWKEEKUMAZJLL-UHFFFAOYSA-N

InChI

InChI=1S/C6H3BrCl2O/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H

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Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names

Phenol, 4-bromo-2,5-dichloro-
2,5-Dichloro-4-bromophenol
Phosvel phenol
Leptophos phenol

Work with 4-Bromo-2,5-dichlorophenol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,5-Dichlorohydroquinone824-69-170 % similar 2,4,5-Trichlorophenol95-95-464 % similar 4,6-Dichlororesorcinol137-19-959 % similar 4-Amino-2,5-dichlorophenol50392-39-752 % similar 4-Bromo-3-chlorophenol13631-21-550 % similar 3-Bromo-4-chlorophenol13659-24-050 % similar 5-Bromo-2-chlorophenol183802-98-450 % similar 1-Bromo-2-chlorobenzene694-80-450 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromo-2,6-dichlorophenol3217-15-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook