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120-32-1 | Phenol, 4-chloro-2-(phenylmethyl)-
CAS No: 120-32-1 Catalog No: AG000PZY MDL No:MFCD00020140
Product Description
Catalog Number:
AG000PZY
Chemical Name:
Phenol, 4-chloro-2-(phenylmethyl)-
CAS Number:
120-32-1
Molecular Formula:
C13H11ClO
Molecular Weight:
218.6788
MDL Number:
MFCD00020140
IUPAC Name:
2-benzyl-4-chlorophenol
InChI:
InChI=1S/C13H11ClO/c14-12-6-7-13(15)11(9-12)8-10-4-2-1-3-5-10/h1-7,9,15H,8H2
InChI Key:
NCKMMSIFQUPKCK-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)Cc1ccccc1)O
EC Number:
204-385-8
UNII:
7560BB0BO3
NSC Number:
59989
UN Number:
3077
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.05g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.68g/mol
Monoisotopic Mass:
218.05g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
Literature
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|---|---|
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| Determination of phenols and phenates in disinfectant formulations by liquid chromatography with UV detection: collaborative study. | Journal of AOAC International 20120101 |
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| Targeted three-dimensional liquid chromatography: a versatile tool for quantitative trace analysis in complex matrices. | Journal of chromatography. A 20101203 |
| Single-laboratory validation of a method for the determination of phenols and phenates in disinfectant formulations by liquid chromatography with UV detection. | Journal of AOAC International 20100101 |
| Simultaneous determination of 21 preservatives in cosmetics by ultra performance liquid chromatography. | International journal of cosmetic science 20081001 |
| Biomonitoring of estrogenic exposure and identification of responsible compounds in bream from Dutch surface waters. | Environmental toxicology and chemistry 20070501 |
| Determination of UV filters and antimicrobial agents in environmental water samples. | Analytical and bioanalytical chemistry 20070201 |
| In vitro cytotoxicity assessment of the biocidal agents sodium o-phenylphenol, sodium o-benzyl-p-chlorophenol, and sodium p-tertiary amylphenol using established fish cell lines. | Toxicology in vitro : an international journal published in association with BIBRA 20061001 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
| Ecotoxicological evaluation of the biocidal agents sodium o-phenylphenol, sodium o-benzyl-p-chlorophenol, and sodium p-tertiary amylphenol. | Ecotoxicology and environmental safety 20050201 |
| By-side chlorodibenzo-P-dioxins and chlorodibenzofurans in technical chlorobiphenyl formulations of aroclor 1268, chlorofen, and clophen T 64. | Journal of environmental science and health. Part A, Toxic/hazardous substances & environmental engineering 20050101 |
| Identification of estrogenic compounds in fish bile using bioassay-directed fractionation. | Environmental science & technology 20041201 |
| Safety assessment of dichlorophene and chlorophene. | International journal of toxicology 20040101 |
| Effects of high temperature and disinfectants on the viability of Sarcocystis neurona sporocysts. | The Journal of parasitology 20021201 |
| Determination of phenolic disinfectant agents in commercial formulations by liquid chromatography. | Journal of AOAC International 20010101 |
| Chronic nephropathy and renal carcinogenicity of o-benzyl-p-chlorophenol in F344/N rats and B6C3F1 mice. | Fundamental and applied toxicology : official journal of the Society of Toxicology 19950901 |
| Contact hypersensitivity response to o-benzyl-p-chlorophenol in mice. | Drug and chemical toxicology 19910101 |
| Prechronic toxicity of o-benzyl-p-chlorophenol in rats and mice. | Fundamental and applied toxicology : official journal of the Society of Toxicology 19861101 |
| Disposition of o-benzyl-p-chlorophenol in male rats. | Journal of toxicology and environmental health 19860101 |
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