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    Technical details about 3-Chlorophenol, learn more about the structure, uses, toxicity, action, side effects and more

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    3-Chlorophenol

    PRICE INFORMATION

    PharmaCompass

    Inke S.A: APIs manufacturing plant.

    ChemWerth works in generic API development & supply, non-infringement patent strategy development and regulatory support.

    2D Structure
    1. Also known as: 108-43-0, M-chlorophenol, Phenol, 3-chloro-, Phenol, m-chloro-, 3-hydroxychlorobenzene, M-chlorophenic acid
    Molecular Formula
    C6H5ClO
    Molecular Weight
    128.55  g/mol
    InChI Key
    HORNXRXVQWOLPJ-UHFFFAOYSA-N
    FDA UNII
    Z2Z7M2FTAD
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-chlorophenol
    2.1.2 InChI
    InChI=1S/C6H5ClO/c7-5-2-1-3-6(8)4-5/h1-4,8H
    2.1.3 InChI Key
    HORNXRXVQWOLPJ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC(=C1)Cl)O
    2.2 Other Identifiers
    2.2.1 UNII
    Z2Z7M2FTAD
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. M-chlorophenol

    2. M-monochlorophenol

    3. Meta-chlorophenol

    4. Meta-monochlorophenol

    2.3.2 Depositor-Supplied Synonyms

    1. 108-43-0

    2. M-chlorophenol

    3. Phenol, 3-chloro-

    4. Phenol, M-chloro-

    5. 3-hydroxychlorobenzene

    6. M-chlorophenic Acid

    7. Meta-chlorophenol

    8. 3-chloro-phenol

    9. 3-chloro-1-hydroxybenzene

    10. Nsc 59700

    11. Z2z7m2ftad

    12. Chembl41172

    13. Phenol, 3-chloro-, Homopolymer

    14. Chebi:38855

    15. Nsc-59700

    16. 25231-12-3

    17. Chlorophenol, M-

    18. 3ch

    19. Ccris 641

    20. Hsdb 1413

    21. Einecs 203-582-6

    22. Unii-z2z7m2ftad

    23. M-chloro-phenol

    24. Ai3-23961

    25. 3-chloro Phenol

    26. Mfcd00002256

    27. M-chlorophenol, Solid

    28. M-chlorophenol, Liquid

    29. 1li3

    30. 3-chlorophenol, 98%

    31. Dsstox_cid_4800

    32. Wln: Qr Cg

    33. Dsstox_rid_77538

    34. M-chlorophenol [mi]

    35. Dsstox_gsid_24800

    36. Schembl49772

    37. Un 2020 (salt/mix)

    38. Un 2021 (salt/mix)

    39. 3-chlorophenol [hsdb]

    40. Dtxsid4024800

    41. Zinc404329

    42. Amy10409

    43. Nsc59700

    44. Tox21_200833

    45. Bdbm50167952

    46. Stl183823

    47. Akos000118748

    48. Cs-w020573

    49. Db01957

    50. Ps-6042

    51. Ncgc00091698-01

    52. Ncgc00091698-02

    53. Ncgc00258387-01

    54. Cas-108-43-0

    55. 3-chlorophenol 100 Microg/ml In Methanol

    56. Db-040829

    57. Ft-0615504

    58. D95297

    59. 3-chlorophenol, Pestanal(r), Analytical Standard

    60. 3-cyclohexyl-2-thioxotetrahydropyrimidin-4(1h)-one

    61. Q3973362

    62. W-108718

    63. F0001-0169

    64. M-chlorophenol, Solid [un2020] [keep Away From Food]

    65. Z1262246121

    66. M-chlorophenol, Liquid [un2021] [keep Away From Food]

    2.4 Create Date
    2004-09-16
    3 Chemical and Physical Properties
    Molecular Weight 128.55 g/mol
    Molecular Formula C6H5ClO
    XLogP32.5
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count0
    Exact Mass128.0028925 g/mol
    Monoisotopic Mass128.0028925 g/mol
    Topological Polar Surface Area20.2 Ų
    Heavy Atom Count8
    Formal Charge0
    Complexity74.9
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Drug and Medication Information
    4.1 Therapeutic Uses

    MEDICATION (VET): ANTISEPTIC

    Rossoff, I.S. Handbook of Veterinary Drugs. New York: Springer Publishing Company, 1974., p. 106

    5 Pharmacology and Biochemistry
    5.1 Absorption, Distribution and Excretion

    ... ABSORBED FROM ... GASTROINTESTINAL TRACT & ... PARENTERAL SITES OF INJECTION. ... EXCRETED AS CONJUGATES OF SULFURIC & GLUCURONIC ACID. /CHLOROPHENOLS/

    Clayton, G.D., F.E. Clayton (eds.) Patty's Industrial Hygiene and Toxicology. Volumes 2A, 2B, 2C, 2D, 2E, 2F: Toxicology. 4th ed. New York, NY: John Wiley & Sons Inc., 1993-1994., p. 1615-16

    5.2 Metabolism/Metabolites

    M-CHLOROPHENOL YIELDS M-CHLOROANISOLE IN GUINEA PIGS. YIELDS 4-CHLOROCATECHOL IN RABBITS. YIELDS M-CHLOROPHENYL-BETA-D-GLUCURONIDE & M-CHLOROPHENYL SULFATE IN RABBITS.

    Goodwin, B.L. Handbook of Intermediary Metabolism of Aromatic Compounds. New York: Wiley, 1976., p. C-36

    ... Various chlorophenols are formed as intermediate metabolites during the microbiological degradation of the herbicides 2,4-D & 2,4,5-T and pesticides Silvex, Ronnel, lindane, and benzene hexachloride. /Chlorophenols/

    USEPA; Ambient Water Quality Criteria Doc: Chlorinated Phenols p.A-7 (1980) EPA 440/5-80-032

    Mammalian metabolism of chlorobenzene yields 3-chlorophenol as /one of/ the major products.

    USEPA; Ambient Water Quality Criteria Doc: Chlorinated Phenols p.C-10 (1980) EPA 440/5-80-032

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