Chlorophene
Properties
- Molecular formula
- C13H11ClO
- Molar mass
- 218.68 g/mol
- Exact mass
- 218.0498 Da
- Density
- 1.185 g/mL (at 58 °C)
- Melting point
- 48.5 °C
- Boiling point
- 160–162 °C (at 3.5 Torr)
- Flash point
- 187.8 °C
- Water solubility
- 149 mg/L (25 °C)
- logP
- 3.64Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 2
Hazards
Danger
- H315 Causes skin irritationSkin corrosion/irritation
- H317 May cause an allergic skin reactionSensitization, Skin
- H318 Causes serious eye damageSerious eye damage/eye irritation
- H332 Harmful if inhaledAcute toxicity, inhalation
- H351 Suspected of causing cancerCarcinogenicity
- H361f Suspected of damaging fertilityReproductive toxicity
- H373 May causes damage to organs through prolonged or repeated exposureSpecific target organ toxicity, repeated exposure
- H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
- H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard
Harmonised EU classification (CLP Annex VI, index 604-093-00-4), via PubChem.
Precautionary statements
P203, P260, P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P318, P319, P321, P332+P317, P333+P317, P362+P364, P391, P405, P501
Identifiers
CAS number
120-32-1SMILES
Oc1ccc(Cl)cc1Cc1ccccc1InChIKey
NCKMMSIFQUPKCK-UHFFFAOYSA-NInChI
InChI=1S/C13H11ClO/c14-12-6-7-13(15)11(9-12)8-10-4-2-1-3-5-10/h1-7,9,15H,8H2Characterization data
Calculated from the structure, in the form journals print them.
¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 7.30 (m, J = 7.7 Hz, 2H), 7.22 (m, J = 7.7, 1.6 Hz, 2H), 7.19 (m, J = 7.7, 1.6 Hz, 1H), 7.13 (d, J = 1.6 Hz, 1H), 7.10 (dd, J = 7.7, 1.6 Hz, 1H), 6.72 (d, J = 7.7 Hz, 1H), 5.30 (br s, 1H), 3.99 (s, 2H).¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 152.7, 144.1, 132.3, 129.4, 128.3, 127.8, 127.3, 127.2, 125.6, 116.5, 41.9.[M + H]+
[M + H]+ Calcd for C13H12ClO 219.0571[M + Na]+
[M + Na]+ Calcd for C13H11ClNaO 241.0391[M − H]−
[M − H]− Calcd for C13H10ClO 217.0426Elemental analysis
Anal. Calcd for C13H11ClO: C, 71.40; H, 5.07.Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
23 names · show all
- Phenol, 4-chloro-2-(phenylmethyl)-
- o-Cresol, 4-chloro-α-phenyl-
- 4-Chloro-2-(phenylmethyl)phenol
- 2-Benzyl-4-chlorophenol
- 5-Chloro-2-hydroxydiphenylmethane
- 4-Chloro-α-phenyl-o-cresol
- Clorofene
- Clorophene
- Santophen 1
- Santophen
- Ketolin H
- Neosabenyl
- o-Benzyl-p-chlorophenol
- 4-Chloro-2-benzylphenol
- Bio-clave
- Septiphene
- p-Chloro-o-benzylphenol
- 2-Hydroxy-5-chlorodiphenylmethane
- Preventol BP
- Nipacide BCP
- NSC 59989
- Nipacide BCP 50
- Septol
Work with Chlorophene
Similar compounds
2,2'-Methylenebis(4-chlorophenol)1322-43-672 % similar
Dichlorophen97-23-472 % similar
2-Benzylphenol28994-41-458 % similar
5-Chloro-2-hydroxybenzenemethanol5330-38-158 % similar
(4-Chlorophenyl)phenylmethane831-81-252 % similar
2-Allyl-4-chlorophenol13997-73-451 % similar
4-Chlorocatechol2138-22-948 % similar
2,4-Dichlorophenol120-83-245 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.