P-Chlorocresol
Properties
- Molecular formula
- C7H7ClO
- Molar mass
- 142.58 g/mol
- Exact mass
- 142.0185 Da
- Density
- 1.37 g/mL
- Melting point
- 67 °C
- Boiling point
- 235 °C
- pKa
- 9.55
- Flash point
- 110 °C
- Water solubility
- 3.83 g/L (25 °C)
- logP
- 2.35Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H302 Harmful if swallowedAcute toxicity, oral
- H314 Causes severe skin burns and eye damageSkin corrosion/irritation
- H317 May cause an allergic skin reactionSensitization, Skin
- H318 Causes serious eye damageSerious eye damage/eye irritation
- H335 May cause respiratory irritationSpecific target organ toxicity, single exposure; Respiratory tract irritation
- H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
- H412 Harmful to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard
Harmonised EU classification (CLP Annex VI, index 604-014-00-3), via PubChem.
Precautionary statements
P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P333+P317, P362+P364, P363, P391, P403+P233, P405, P501
Identifiers
CAS number
59-50-7SMILES
Cc1cc(O)ccc1ClInChIKey
CFKMVGJGLGKFKI-UHFFFAOYSA-NInChI
InChI=1S/C7H7ClO/c1-5-4-6(9)2-3-7(5)8/h2-4,9H,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
30 names · show all
- Phenol, 4-chloro-3-methyl-
- m-Cresol, 4-chloro-
- 4-Chloro-3-methylphenol
- 2-Chloro-5-hydroxytoluene
- 6-Chloro-3-hydroxytoluene
- 3-Methyl-4-chlorophenol
- Parol
- PCMC
- Raschit
- Raschit K
- Preventol CMK
- 4-Chloro-5-methylphenol
- Baktol
- Baktolan
- Ottafact
- Rasen-anicon
- Aptal
- Candaseptic
- Peritonan
- para-Chloro-meta-cresol
- Chlorocresol
- 4-Chloro-3-cresol
- 1-Chloro-2-methyl-4-hydroxybenzene
- p-Chloro-m-cresol
- Neopredisan
- 4-Chloro-m-cresol
- NSC 4166
- Parmetol
- Aldecoc XD
- 3-Methyl-p-chlorophenol
Work with P-Chlorocresol
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-Xylenol95-65-860 % similar
3,4-Dichlorophenol95-77-260 % similar
5-Bromo-2-chlorotoluene54932-72-857 % similar
2,5-Dichlorotoluene19398-61-956 % similar
4-Chloro-M-xylene95-66-956 % similar
Methylhydroquinone95-71-656 % similar
4-Chlororesorcinol95-88-556 % similar
1-Chloro-4-iodo-2-methylbenzene116632-41-854 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.