4-Chlororesorcinol
Properties
- Molecular formula
- C6H5ClO2
- Molar mass
- 144.55 g/mol
- Exact mass
- 143.9978 Da
- Melting point
- 107 °C
- Boiling point
- 147 °C
- logP
- 1.75Crippen estimate
- Polar surface area
- 40.5 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 0
Hazards
Danger
- H302 Harmful if swallowed91.3% of notifiers
- H312 Harmful in contact with skin51.5% of notifiers
- H315 Causes skin irritation94.2% of notifiers
- H317 May cause an allergic skin reaction41.7% of notifiers
- H318 Causes serious eye damage39.8% of notifiers
- H319 Causes serious eye irritation58.3% of notifiers
- H332 Harmful if inhaled47.6% of notifiers
- H335 May cause respiratory irritation55.3% of notifiers
- H401 Toxic to aquatic life10.7% of notifiers
- H411 Toxic to aquatic life with long lasting effects31.1% of notifiers
Aggregated from 103 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501
Identifiers
CAS number
95-88-5SMILES
Oc1ccc(Cl)c(O)c1InChIKey
JQVAPEJNIZULEK-UHFFFAOYSA-NInChI
InChI=1S/C6H5ClO2/c7-5-2-1-4(8)3-6(5)9/h1-3,8-9HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
12 names
- 1,3-Benzenediol, 4-chloro-
- Resorcinol, 4-chloro-
- 4-Chloro-1,3-benzenediol
- C.I. 76510
- 4-Chloro-1,3-dihydroxybenzene
- 4-Chlororesorcin
- p-Chlororesorcinol
- 6-Chlororesorcinol
- 2,4-Dihydroxychlorobenzene
- 1-Chloro-2,4-dihydroxybenzene
- NSC 1569
- NSC 6298
Work with 4-Chlororesorcinol
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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
3,4-Dichlorophenol95-77-265 % similar
5-Bromo-2-chlorophenol183802-98-462 % similar
2,5-Dichlorophenol583-78-860 % similar
2-Chloro-5-fluorophenol3827-49-458 % similar
Hydroxyquinol533-73-357 % similar
3-Bromo-4-chlorophenol13659-24-056 % similar
3-Amino-4-chlorophenol16026-77-056 % similar
4-Chloro-3-fluorophenol348-60-756 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.