4-Chlorophenol Structure

4-Chlorophenol

Chemical Properties

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
Flash point 240 °F
storage temp.  2-8°C
solubility  ethanol: soluble50mg/mL, clear to very slightly hazy, colorless to faintly brownish-yellow
pka 9.18(at 25℃)
form  Low Melting Crystalline Mass
color  White to pale yellow
Odor Phenolic
PH 5 (20°C in H2O)
Odor Threshold 30 ppm
Water Solubility  2.7 g/100 mL (20 ºC)
Sensitive  Air Sensitive
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℃)
Stability Stable. Incompatible with acid chlorides, acid anhydrides, oxidizing agents, iron.
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)
EWG's Food Scores 1
FDA UNII 3DLC36A01X
NIST Chemistry Reference p-Chlorophenol(106-48-9)
EPA Substance Registry System p-Chlorophenol (106-48-9)
Toxicological Profile|ATSDR 4-Chlorophenol|Toxicological Profile|ATSDR
UNSPSC Code 41116107
NACRES NA.24

Safety

Symbol(GHS) Corrosion (GHS05)Skull and Crossbones (GHS06)Environment (GHS09)
Signal wordDanger
Hazard statements H301-H312+H332-H314-H411
Precautionary statements P501-P273-P260-P270-P271-P264-P280-P391-P362+P364-P303+P361+P353-P301+P330+P331-P301+P310+P330-P304+P340+P310-P305+P351+P338+P310-P405
Hazard Codes  Xn,N
Risk Statements  20/21/22-51/53-50
Safety Statements  28-61-28A-24/25-60-36/37
RIDADR  UN 2020 6.1/PG 3
WGK Germany  2
RTECS  SK2800000
F  10-23
TSCA  TSCA listed
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
Hazardous Substances Data 106-48-9(Hazardous Substances Data)
Toxicity LD50 orally in rats: 0.67 g/kg (Deichmann)
NFPA 704:
1
4 0

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