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4-Chlorophenol

4-Chlorophenol structure

CAS No:
106-48-9
Formula:
C6H5ClO
Chemical Name:
4-Chlorophenol
Synonyms:
Phenol,4-chloro-;Phenol,p-chloro-;4-Chlorophenol;p-Chlorophenol;4-Hydroxychlorobenzene;Applied 3-78;p-Chlorophenic acid;NSC 2877;4-CP
Categories:
Cosmetic Ingredient > Antimicrobials

Description

off-white to light tan crystals or powder All isomers have a characteristic odor.ChEBI: A monochlorophenol substituted at the pare position by a chlorine atom.White crystals with a strong phenol odor Slightly soluble to soluble in water, depending on the isomer, and denser than water. Noncombustible. Used as an intermediate in organic synthesis of dyes and drugs.

4-Chlorophenol Basic Attributes

Molecular Weight：

128.55600

Exact Mass：

128.56

EC Number：

203-402-6

HScode：

2908191000

Characteristics

PSA：

20.23000

XLogP3：

2.04560

Appearance：

P-chlorophenol appears as white crystals with a strong phenol odor. Slightly soluble to soluble in water, depending on the isomer, and denser than water. Noncombustible. Used as an intermediate in organic synthesis of dyes and drugs.

Density：

1.2238 g/cm³ @ Temp: 78 °C

Melting Point：

42.7 °C

Boiling Point：

220 °C

Flash Point：

121ºC

Refractive Index：

1.5579

Water Solubility：

Solubility in water, g/100ml at 20°C: 2.7

Storage Conditions：

0-6ºC

Vapor Pressure：

1 mm Hg ( 49.8 °C)

Vapor Density：

Relative vapour density (air = 1): 4.44

Toxicity：

LD50 orally in rats: 0.67 g/kg (Deichmann)

Odor：

Characeteristic phenolic odor

PH：

1% solution is acidic to litmus

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN 2904/2905/2020

wgk germany：

hazard class code：

R20/21/22; R51/53

safety instructions：

S28-S61

RTECS Number：

SK2800000

Marks：

Storage features：

Separated from strong oxidants and food and feedstuffs. Well closed.

Stability/Shelf Life：

Stable. Incompatible with acid chlorides, acid anhydrides, oxidizing agents, iron.

Precautionary statement(s)：

P261-P280-P301 + P312 + P330

Hazard Statements：

H302 + H312 + H332-H411

4-Chlorophenol Use and Manufacturing

It is used in the synthesis of dye neutral brilliant green BL, pharmaceutical safety and pesticides, etc. It can also be used as a solvent for refined mineral oil; microscopic analysis, pharmaceutical and dye intermediates, alcohol denaturant, solvent. Used for microscopy analysis; used for the synthesis of dye neutral brilliant green BL, pharmaceutical safety and pesticides, etc., can also be used as a solvent for refined mineral oil; used in pesticides, pharmaceuticals, dyes, plastics and other industries, and also used as ethanol color changing agent , Refined mineral oil selective solvent, microscopic analysis, etc. Microscope analysis, pharmaceutical and dye intermediates, alcohol denaturant, solvent. This product is mainly used in pesticides; medicine; dyes; plastics and other industries, and also used as a color change agent for ethanol; selective solvent for refined mineral oil; microanalysis, etc.; agricultural industry is mainly used to synthesize fenpropion; Profenofen; Profenofos; Tetraphos; Insecticides, etc., used in the manufacture of pesticide fungicides 5,5'dichloro-2,2'dihydroxydiphenylmethane and plant growth promoters; used in the dye industry 1,4-Dihydroxyanthraquinone, 1,4-diaminoanthraquinone, p-aminophenol and hydroquinone, etc.; used in the pharmaceutical industry to carboxylate sodium 5-chloro-2-hydroxybenzoate and synthesize p-chlorophenoxyisobutyl Acid and other drugs; also used in the synthesis of antioxidant BHA (butyl hydroxyanisole) and so on.

Computed Properties

Molecular Weight:128.55
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:128.0028925
Monoisotopic Mass:128.0028925
Topological Polar Surface Area:20.2
Heavy Atom Count:8
Complexity:66.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Phenol

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