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Chemistry

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Also known as: 106-48-9, P-chlorophenol, Parachlorophenol, Phenol, 4-chloro-, 4-hydroxychlorobenzene, Phenol, p-chloro-
Molecular Formula
C6H5ClO
Molecular Weight
128.55  g/mol
InChI Key
WXNZTHHGJRFXKQ-UHFFFAOYSA-N
FDA UNII
3DLC36A01X

4-Chlorophenol
P-chlorophenol is a white crystals with a strong phenol odor. Slightly soluble to soluble in water, depending on the isomer, and denser than water. Noncombustible.
1 2D Structure

4-Chlorophenol

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-chlorophenol
2.1.2 InChI
InChI=1S/C6H5ClO/c7-5-1-3-6(8)4-2-5/h1-4,8H
2.1.3 InChI Key
WXNZTHHGJRFXKQ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=CC=C1O)Cl
2.2 Other Identifiers
2.2.1 UNII
3DLC36A01X
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 4-chlorophenol Ion (1+)

2. 4-chlorophenol, Copper (+1) Salt

3. 4-chlorophenol, Nickel (+2) Salt

4. 4-chlorophenol, Potassium Salt

5. 4-chlorophenol, Sodium Salt

6. 4-chlorophenol, Titanium (+4) Salt

7. 4-chlorophenoxide

8. 4-monochlorophenol

9. P-chlorophenol

10. Para-monochlorophenol

11. Parachlorophenol

2.3.2 Depositor-Supplied Synonyms

1. 106-48-9

2. P-chlorophenol

3. Parachlorophenol

4. Phenol, 4-chloro-

5. 4-hydroxychlorobenzene

6. Phenol, P-chloro-

7. Applied 3-78

8. 4-monochlorophenol

9. P-chlorophenic Acid

10. P-chlorfenol

11. 4-chlorphenol

12. 4-chloro-1-hydroxybenzene

13. P-chlorfenol [czech]

14. 4-chloro-phenol

15. Nsc 2877

16. Mfcd00002318

17. Parachlorophenol (jan/usp)

18. 3dlc36a01x

19. Chebi:28078

20. Nsc-2877

21. Ncgc00090814-01

22. Dsstox_cid_1871

23. Dsstox_rid_76376

24. Dsstox_gsid_21871

25. P-chlorophenol, Liquid [un2021] [keep Away From Food]

26. P-chlorophenol, Solid [un2020] [keep Away From Food]

27. Parachlorophenol [usp]

28. Cas-106-48-9

29. Ccris 642

30. Hsdb 1414

31. Einecs 203-402-6

32. Unii-3dlc36a01x

33. 4chlorophenol

34. P-chloro Phenol

35. Ai3-19422

36. Para-chlorophenol

37. Parachloro Phenol

38. 4-chloro Phenol

39. 4ch

40. Parachlorophenol,(s)

41. P-chlorophenol, Solid

42. P-chlorophenol, Liquid

43. Spectrum_000939

44. Spectrum2_000968

45. Spectrum3_000539

46. Spectrum4_000468

47. Spectrum5_001228

48. Wln: Qr Dg

49. 4-clc6h4oh

50. Bmse000461

51. Ec 203-402-6

52. 4-chlorophenol, >=99%

53. P-chlorophenol [mi]

54. Schembl28864

55. Bspbio_002157

56. Kbiogr_000916

57. Kbioss_001419

58. Mls002454432

59. Bidd:er0011

60. Chembl57053

61. Divk1c_000310

62. P-chlorophenol [inci]

63. Parachlorophenol [jan]

64. Spectrum1500460

65. Spbio_000975

66. Parachlorophenol [hsdb]

67. Zinc1885

68. Parachlorophenol [vandf]

69. 4-chlorphenol [who-dd]

70. Dtxsid1021871

71. Parachlorophenol [mart.]

72. Bdbm36299

73. Hms500p12

74. Kbio1_000310

75. Kbio2_001419

76. Kbio2_003987

77. Kbio2_006555

78. Kbio3_001657

79. Nsc2877

80. Parachlorophenol [usp-rs]

81. Ninds_000310

82. Hms1920f08

83. Hms2091n08

84. Hms2230b13

85. Hms3373o02

86. Pharmakon1600-01500460

87. Tox21_111028

88. Tox21_201704

89. Tox21_302860

90. Ccg-40184

91. Nsc757263

92. Stl194293

93. 4-chlorophenol, For Synthesis, 98%

94. Akos000118967

95. Tox21_111028_1

96. Db13154

97. Nsc-757263

98. Idi1_000310

99. Parachlorophenol [usp Monograph]

100. Ncgc00090814-02

101. Ncgc00090814-03

102. Ncgc00090814-04

103. Ncgc00090814-05

104. Ncgc00090814-07

105. Ncgc00256497-01

106. Ncgc00259253-01

107. 4-chlorophenol 10 Microg/ml In Methanol

108. Smr001252242

109. 4-chlorophenol 100 Microg/ml In Methanol

110. Sbi-0051474.p003

111. Db-028832

112. 4-chlorophenol, Puriss., >=99.0% (gc)

113. Cs-0005709

114. Ft-0618238

115. 4-chlorophenol 100 Microg/ml In Isopropanol

116. 4-chlorophenol 1000 Microg/ml In Isopropanol

117. C02124

118. D00149

119. Ab00052066_06

120. 4-chlorophenol, Pestanal(r), Analytical Standard

121. Sr-05000001691

122. J-001599

123. Q2179668

124. Sr-05000001691-1

125. Brd-k40992116-001-05-5

126. F0001-0124

127. Z1262246118

128. Parachlorophenol, United States Pharmacopeia (usp) Reference Standard

129. 4-chlorophenol Solution, 725 Mg/l In H2o, For Aox Determination (according To Din 38409-h14)

2.4 Create Date
2004-09-16
3 Chemical and Physical Properties
Molecular Weight 128.55 g/mol
Molecular Formula C6H5ClO
XLogP32.4
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
Complexity66.9
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

Local antibacterial agent in root canal therapy

Osol, A. (ed.). Remington's Pharmaceutical Sciences. 16th ed. Easton, Pennsylvania: Mack Publishing Co., 1980., p. 1111


Topical antiseptic /cat/

Budavari, S. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Whitehouse Station, NJ: Merck and Co., Inc., 1996., p. 359


Medication (Vet): /Formerly/ as topical antiseptic in ointments

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


4.2 Drug Indication

Used as an intermediate in organic synthesis of dyes and drugs. Local antibacterial agent in root canal therapy, as topical antiseptic in ointments


5 Pharmacology and Biochemistry
5.1 MeSH Pharmacological Classification

Anti-Infective Agents, Local

Substances used on humans and other animals that destroy harmful microorganisms or inhibit their activity. They are distinguished from DISINFECTANTS, which are used on inanimate objects. (See all compounds classified as Anti-Infective Agents, Local.)


5.2 Absorption, Distribution and Excretion

Absorption

absorbed from gastrointestinal tract.


Route of Elimination

87% of 4-chlorophenol was excreted in urine of dogs as sulfate and glucuronide.


A number of rabbit studies have shown that metabolism of the monochlorophenols is principally via conjugation. In one study, groups of 6 rabbits were treated by gavage with 171.3 mg/kg of 2-CP or 4-CP emulsified in water as a single dose. For both isomers, the 24-hour urine analysis indicated that between 78.1 and 88.3% of the administered dose was excreted as the glucuronide, and between 12.8 and 20.6% of the administered dose was excreted as the ethereal sulfate. A total of 101.7 and 101.1% of the administered 2-CP or 4-CP doses, respectively, was accounted for as urinary glucuronide and sulfate conjugates.

U.S. Dept Health & Human Services/Agency for Toxic Substances & Disease Registry; Toxicological Profile for Chlorophenols PB/99/166639 p.80 (July 1999). Available from, as of October 28, 2008: https://www.atsdr.cdc.gov/toxpro2.html#


Metabolism was ... investigated in 4 rabbits, each treated by gavage with an average dose of 395 mg/kg/day of 4-CP. After 36 hours, 54.1% of the administered dose appeared in the urine as the glucuronide conjugate, and 10.4% of the administered dose appeared in the ethereal sulfate fraction. Only 0.1% of the administered dose was excreted as 4-chlorocatechol. The low total recovery (64.5%) in the latter experiment limits conclusions.

U.S. Dept Health & Human Services/Agency for Toxic Substances & Disease Registry; Toxicological Profile for Chlorophenols PB/99/166639 p.80 (July 1999). Available from, as of October 28, 2008: https://www.atsdr.cdc.gov/toxpro2.html#


In a limited study in dogs about half of an oral dose of 2- or 4-CP was excreted in the urine as the ethereal sulfate. No evidence for metabolism to mercapturic acid was found.

U.S. Dept Health & Human Services/Agency for Toxic Substances & Disease Registry; Toxicological Profile for Chlorophenols PB/99/166639 p.80 (July 1999). Available from, as of October 28, 2008: https://www.atsdr.cdc.gov/toxpro2.html#


... Absorbed from ... gastrointestinal tract & ... parenteral sites of injection. ... Excreted as conjugates of sulfuric & glucuronic acid. ... Urine darkens after standing /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


5.3 Metabolism/Metabolites

P-Chlorophenol yields p-chloroanisole in guinea pigs. P-Chlorophenol yields 4-chlorocatechol p-chloro phenyl-beta-D-glucuronide & p-chlorphenyl sulfate in rabbits. P-Chlorophenol yields p-chlorophenyl sulfate in rats.


P-Chlorophenol yields p-chloroanisole in guinea pigs.

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


P-Chlorophenol yields 4-chlorocatechol p-chloro phenyl-beta-D-glucuronide & p-chlorphenyl sulfate in rabbits.

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


P-Chlorophenol yields p-chlorophenyl-beta-D-glucuronide * p-chlorophenyl sulfate in hens.

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


P-Chlorophenol yields p-chlorophenyl sulfate in rats.

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


For more Metabolism/Metabolites (Complete) data for 4-CHLOROPHENOL (10 total), please visit the HSDB record page.


4-Chlorophenol has known human metabolites that include (2S,3S,4S,5R)-6-(4-Chlorophenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid.

S73 | METXBIODB | Metabolite Reaction Database from BioTransformer | DOI:10.5281/zenodo.4056560


5.4 Mechanism of Action

The major mode of action of chlorophenols appears to be the uncoupling of oxidative phosphorylation. The strength of the uncoupling effect is related to the degree of chlorination: PCP is the strongest inhibitor of oxidative phosphorylation, MCP the weakest. To a lesser extent, inhibition of oxidative phosphorylation is affected by the positions of the chlorine atoms on the molecule.


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THANE, MAHARASHTRA","supplier":"SORACIM SA","supplierCountry":"SWITZERLAND","foreign_port":"BARCELONA","customer":"AGAPPE DIAGNOSTICS LIMITED","customerCountry":"INDIA","quantity":"0.50","actualQuantity":"0.5","unit":"KGS","unitRateFc":"192.9","totalValueFC":"114.7","currency":"EUR","unitRateINR":"19231.6","date":"27-Sep-2024","totalValueINR":"9615.79","totalValueInUsd":"114.7","indian_port":"Cochin Air","hs_no":"29081900","bill_no":"5826165","productDescription":"API","marketType":"REGULATED MARKET","country":"SWITZERLAND","selfForZScoreResived":"Pharma Grade","supplierPort":"BARCELONA","supplierAddress":"CHEMIN DE PRE-FLEURI 6 1006 LAUSANN E SDNF SWITZERLAND","customerAddress":"212\/213, VORA PLAZA, B-WING,"}]
28-Nov-2021
27-Sep-2024
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Quantity (KGS) & Unit rate (USD/KGS) over time

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ABOUT THIS PAGE

4-Chlorophenol Manufacturers

A 4-Chlorophenol manufacturer is defined as any person or entity involved in the manufacture, preparation, processing, compounding or propagation of 4-Chlorophenol, including repackagers and relabelers. The FDA regulates 4-Chlorophenol manufacturers to ensure that their products comply with relevant laws and regulations and are safe and effective to use. 4-Chlorophenol API Manufacturers are required to adhere to Good Manufacturing Practices (GMP) to ensure that their products are consistently manufactured to meet established quality criteria.

click here to find a list of 4-Chlorophenol manufacturers with USDMF, JDMF, KDMF, CEP, GMP, COA and API Price related information on PhamaCompass.

4-Chlorophenol Suppliers

A 4-Chlorophenol supplier is an individual or a company that provides 4-Chlorophenol active pharmaceutical ingredient (API) or 4-Chlorophenol finished formulations upon request. The 4-Chlorophenol suppliers may include 4-Chlorophenol API manufacturers, exporters, distributors and traders.

click here to find a list of 4-Chlorophenol suppliers with USDMF, JDMF, KDMF, CEP, GMP, COA and API Price related information on PharmaCompass.

4-Chlorophenol GMP

4-Chlorophenol Active pharmaceutical ingredient (API) is produced in GMP-certified manufacturing facility.

GMP stands for Good Manufacturing Practices, which is a system used in the pharmaceutical industry to make sure that goods are regularly produced and monitored in accordance with quality standards. The FDA’s current Good Manufacturing Practices requirements are referred to as cGMP or current GMP which indicates that the company follows the most recent GMP specifications. The World Health Organization (WHO) has its own set of GMP guidelines, called the WHO GMP. Different countries can also set their own guidelines for GMP like China (Chinese GMP) or the EU (EU GMP).

PharmaCompass offers a list of 4-Chlorophenol GMP manufacturers, exporters & distributors, which can be sorted by USDMF, JDMF, KDMF, CEP (COS), WC, API price, and more, enabling you to easily find the right 4-Chlorophenol GMP manufacturer or 4-Chlorophenol GMP API supplier for your needs.

4-Chlorophenol CoA

A 4-Chlorophenol CoA (Certificate of Analysis) is a formal document that attests to 4-Chlorophenol's compliance with 4-Chlorophenol specifications and serves as a tool for batch-level quality control.

4-Chlorophenol CoA mostly includes findings from lab analyses of a specific batch. For each 4-Chlorophenol CoA document that a company creates, the USFDA specifies specific requirements, such as supplier information, material identification, transportation data, evidence of conformity and signature data.

4-Chlorophenol may be tested according to a variety of international standards, such as European Pharmacopoeia (4-Chlorophenol EP), 4-Chlorophenol JP (Japanese Pharmacopeia) and the US Pharmacopoeia (4-Chlorophenol USP).

Inform the supplier about your product requirements, specifying if you need a product with particular monograph like EP (Ph. Eur.), USP, JP, BP, or any other quality. In addition, clarify whether you need hydrochloride (HCl), anhydricum, base, micronisatum or a specific level of purity. To find reputable suppliers, utilize the filters and select those certified by GMP, FDA, or any other certification as per your requirement.
For your convenience, we have listed synonyms and CAS numbers to help you find the best supplier. The use of synonyms and CAS numbers can be helpful in identifying potential suppliers, but it is crucial to note that they might not always indicate the exact same product. It is important to confirm the product details with the supplier before making a purchase to ensure that it meets your requirements.
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