4-Chlorophenol

Names

[ CAS No. ]:
106-48-9

[ Name ]:
4-Chlorophenol

[Synonym ]:
Phenol,p-chloro
Phenol,4-chloro
Applied 3-78
MFCD00002318
4-Chloro-1-hydroxybenzene
p-chlorophenol
p-hydroxychlorobenzene
1-Chloro-4-hydroxybenzene
4-chloro-phenol
4-Monochlorophenol
4-Chlorbenzolol
Parachlorophenol
p-Chlorfenol
Phenol, p-chloro-
Phenol, 4-chloro-
para-monochlorophenol
4-Cl-phenol
p-monochlorophenol
p-Cl-C6H4-OH
PARA-CHLOROPHENOL
Chlorophenol
p-Chlorophenic acid
Phenol, 4-chloro
4-Chlorophenol
EINECS 203-402-6
4-hydroxychlorobenzene

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
220 ºC

[ Melting Point ]:
40-45 °C(lit.)

[ Molecular Formula ]:
C₆H₅ClO

[ Molecular Weight ]:
128.556

[ Flash Point ]:
121 ºC

[ Exact Mass ]:
128.002899

[ PSA ]:
20.23000

[ LogP ]:
2.43

[ Vapour Pressure ]:
0.1±0.4 mmHg at 25°C

[ Index of Refraction ]:
1.576

[ Stability ]:
Stable. Incompatible with acid chlorides, acid anhydrides, oxidizing agents, iron.

[ Water Solubility ]:
2.7 g/100 mL (20 ºC)

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: SK2800000

CHEMICAL NAME :: Phenol, p-chloro-

CAS REGISTRY NUMBER :: 106-48-9

LAST UPDATED :: 199710

DATA ITEMS CITED :: 29

MOLECULAR FORMULA :: C6-H5-Cl-O

MOLECULAR WEIGHT :: 128.56

WISWESSER LINE NOTATION :: QR DG

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration into the eye

SPECIES OBSERVED :: Rodent - rabbit

TYPE OF TEST :: TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Human

DOSE/DURATION :: 10 gm/m3/8H

TOXIC EFFECTS :: Behavioral - excitement Behavioral - irritability Nutritional and Gross Metabolic - other changes

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 670 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 11 mg/m3

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1500 mg/kg

TOXIC EFFECTS :: Behavioral - muscle contraction or spasticity Skin and Appendages - corrosive (after topical exposure)

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 281 mg/kg

TOXIC EFFECTS :: Behavioral - tremor Behavioral - convulsions or effect on seizure threshold Nutritional and Gross Metabolic - body temperature increase

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1030 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 625 mg/kg

TOXIC EFFECTS :: Autonomic Nervous System - other (direct) parasympathomimetic Behavioral - convulsions or effect on seizure threshold Behavioral - excitement

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 367 mg/kg

TOXIC EFFECTS :: Behavioral - excitement Behavioral - coma

TYPE OF TEST :: LCLo - Lowest published lethal concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 3200 mg/m3/2H

TOXIC EFFECTS :: Brain and Coverings - other degenerative changes Lungs, Thorax, or Respiration - other changes Liver - other changes

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 332 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 605 mg/kg

TOXIC EFFECTS :: Autonomic Nervous System - other (direct) parasympathomimetic Behavioral - convulsions or effect on seizure threshold Behavioral - excitement

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Mammal - species unspecified

DOSE/DURATION :: 500 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Mammal - species unspecified

DOSE/DURATION :: 1 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 2 mg/m3/6H/17W-I

TOXIC EFFECTS :: Nutritional and Gross Metabolic - other changes

TYPE OF TEST :: TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 24 ug/m3/24H/17W-I

TOXIC EFFECTS :: Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol) Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - true cholinesterase Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - transaminases

TYPE OF TEST :: TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :: Inhalation

DOSE :: 760 ug/m3/24H

SEX/DURATION :: male 17 week(s) pre-mating

TOXIC EFFECTS :: Reproductive - Paternal Effects - spermatogenesis (incl. genetic material, sperm morphology, motility, and count) Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Effects on Embryo or Fetus - fetal death

MUTATION DATA

TEST SYSTEM :: Rodent - rat

DOSE/DURATION :: 81 mg/kg

REFERENCE :: ZKMAAX Zhurnal Eksperimental'noi i Klinicheskoi Meditsiny. Journal of Experimental and Clinical Medicine. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.2- 1962- Volume(issue)/page/year: 25,339,1985 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-POLAND:TWA 1 mg/m3 JAN 1993 OEL-RUSSIA:STEL 1 mg/m3;Skin JAN 1993 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 84588 No. of Facilities: 185 (estimated) No. of Industries: 4 No. of Occupations: 19 No. of Employees: 4844 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 84588 No. of Facilities: 200 (estimated) No. of Industries: 6 No. of Occupations: 5 No. of Employees: 2796 (estimated) No. of Female Employees: 1865 (estimated)

Safety Information

[ Symbol ]:

GHS07, GHS09

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302 + H312 + H332-H411

[ Precautionary Statements ]:
P261-P280-P301 + P312 + P330

[ Personal Protective Equipment ]:
Eyeshields;Gloves

[ Hazard Codes ]:
Xn:Harmful

[ Risk Phrases ]:
R20/21/22;R51/53

[ Safety Phrases ]:
S28-S61-S28A-S24/25

[ RIDADR ]:
UN 2020 6.1/PG 3

[ WGK Germany ]:
2

[ RTECS ]:
SK2800000

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1

[ HS Code ]:
2908191000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2908191000

[ Summary ]:
HS: 2908191000. 4-chlorophenol. VAT:17.0%. tax rebate rate:9.0%. supervision conditions:None. MFN tarrif:4.0%. general tariff:11.0%

Articles

Convenient QSAR model for predicting the complexation of structurally diverse compounds with β-cyclodextrins

Bioorg. Med. Chem. 17 , 896-904, (2009)

This paper reports a QSAR study for predicting the complexation of a large and heterogeneous variety of substances (233 organic compounds) with beta-cyclodextrins (beta-CDs). Several different theoret...

Calculating virtual log P in the alkane/water system (log P(N)(alk)) and its derived parameters deltalog P(N)(oct-alk) and log D(pH)(alk).

J. Med. Chem. 48 , 3269-79, (2005)

Growing interest in the use of both the logarithm of the partition coefficient of the neutral species in the alkane/water system (log P(N)(alk)) and the difference between log P(N)(oct) (the logarithm...

Cellular apoptosis and cytotoxicity of phenolic compounds: a quantitative structure-activity relationship study.

J. Med. Chem. 48 , 7234-42, (2005)

In this comprehensive study on the caspase-mediated apoptosis-inducing effect of 51 substituted phenols in a murine leukemia cell line (L1210), we determined the concentrations needed to induce caspas...

Related Compounds

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