106-48-9

Name 4-Chlorophenol
CAS 106-48-9
EINECS(EC#) 203-402-6
Molecular Formula C6H5ClO
MDL Number MFCD00002318
Molecular Weight 128.56
MOL File 106-48-9.mol
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Chemical Properties

Appearance off-white to light tan crystals or powder
Melting point  42-45 °C
Boiling point  220 °C (lit.)
density  1.306 g/mL at 25 °C(lit.)
vapor density  4.43 (vs air)
vapor pressure  1 mm Hg ( 49.8 °C)
refractive index  1.5579
Fp  240 °F
storage temp.  0-6°C
solubility  ethanol: soluble50mg/mL, clear to very slightly hazy, colorless to faintly brownish-yellow
form  Low Melting Crystalline Mass
pka 9.18(at 25℃)
color  White to pale yellow
Odor Phenolic like 30 ppm
PH 5 (20°C in H2O)
Stability: Stable. Incompatible with acid chlorides, acid anhydrides, oxidizing agents, iron.
Odor Threshold 30 ppm
Water Solubility  2.7 g/100 mL (20 ºC)
Sensitive  Air Sensitive
Usage Intermediates of Liquid Crystals
Merck  14,2154
BRN  507004
Henry's Law Constant 6.7×100 mol/(m3Pa) at 25℃, Chao et al. (2017)
Dielectric constant 9.5（54.0℃）
Major Application agriculture
environmental
forensics and toxicology
pharmaceutical (small molecule)
Cosmetics Ingredients Functions ANTIMICROBIAL
InChI 1S/C6H5ClO/c7-5-1-3-6(8)4-2-5/h1-4,8H
InChIKey WXNZTHHGJRFXKQ-UHFFFAOYSA-N
SMILES Oc1ccc(Cl)cc1
LogP 2.5 at 35℃
CAS DataBase Reference 106-48-9(CAS DataBase Reference)
NIST Chemistry Reference p-Chlorophenol(106-48-9)
Storage Precautions Store under nitrogen
EPA Substance Registry System 106-48-9(EPA Substance)
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Safety Data

Symbol(GHS)  Corrosion (GHS05)Exclamation Mark (GHS07)Environment (GHS09)
GHS05,GHS07,GHS09
Signal word  Danger
Hazard statements  H302+H312+H332-H314-H411
Precautionary statements  P260-P273-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
Hazard Codes  Xn,N
Risk Statements 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R50:Very Toxic to aquatic organisms.
Safety Statements 
S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S24/25:Avoid contact with skin and eyes .
S60:This material and/or its container must be disposed of as hazardous waste .
RIDADR  UN 2020 6.1/PG 3
WGK Germany  2
RTECS  SK2800000
F  10-23
TSCA  Yes
REACH Registrations Active
HazardClass  6.1
PackingGroup  III
HS Code  29081000
Storage Class 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
Hazard Classifications Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Aquatic Chronic 2
Eye Dam. 1
Skin Corr. 1B
Safety Profile
Poison by inhalation and intraperitoneal routes. Moderately toxic by ingestion, skin contact, and subcutaneous routes. A severe skin and eye irritant. Human systemic effects by inhalation: excitement, irritability. Mutation data reported. Combustible when exposed to heat or flame. To fight fire, use water, spray, mist, fog, foam, dry chemical. When heated to decomposition it emits toxic fumes of Cl-. See also CHLOROPHENOLS and CHLORIDES.
Hazardous Substances Data 106-48-9(Hazardous Substances Data)
Toxicity
LD50 orally in rats: 0.67 g/kg (Deichmann)

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