Dichlorophen

Chlorophenol compounds are on the Community Right-To-Know List. Reported in EPA TSCA Inventory.

The Dichlorophen, with the CAS registry number 97-23-4 and EINECS registry number 202-567-1, has the systematic name of 2,2'-methanediylbis(4-chlorophenol). It is a kind of white or off-white powder, and belongs to the following product categories: Organics; Diphenylmethanes (for High-Performance Polymer Research); Functional Materials; Reagent for High-Performance Polymer Research; Organic Chemicals. And the molecular formula of this chemical is C₁₃H₁₀Cl₂O₂.

The physical properties of Dichlorophen are as following: (1)ACD/LogP: 4.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.62; (4)ACD/LogD (pH 7.4): 4.61; (5)ACD/BCF (pH 5.5): 1917.07; (6)ACD/BCF (pH 7.4): 1884.17; (7)ACD/KOC (pH 5.5): 7785.42; (8)ACD/KOC (pH 7.4): 7651.82; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.649; (14)Molar Refractivity: 69.12 cm³; (15)Molar Volume: 189.5 cm³; (16)Polarizability: 27.4×10^-24cm³; (17)Surface Tension: 56.6 dyne/cm; (18)Density: 1.419 g/cm³; (19)Flash Point: 207 °C; (20)Enthalpy of Vaporization: 69.84 kJ/mol; (21)Boiling Point: 418.7 °C at 760 mmHg; (22)Vapour Pressure: 1.32E-07 mmHg at 25°C.

Preparation of Dichlorophen: It can be prepared by parachlorophenol and formaldehyde. The condensation reaction occurs in the solution of methanol (or ethanol), and the catalyst of sulphuric acid. The temperature should lower than -5°C.

Uses of Dichlorophen: It is a kind of efficient broad-spectrum fungicide with a good tericidal action and bacteriostatic action. It is also used as preservative agent and antimildew agent in natural adhesives and rubber latices-synthetic. What's more, it is usually used as an anticestodal agent.

You should be cautious while dealing with this chemical. It irritates eyes, and harmful if swallowed. It is also very toxic to aquatic organisms, and may cause long-term adverse effects in the aquatic environment. Therefore, you had better take the following instructions: Avoid release to the environment. Refer to special instructions safety data sheet; This material and/or its container must be disposed of as hazardous waste; In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(c(O)cc1)Cc2cc(Cl)ccc2O
(2)InChI: InChI=1/C13H10Cl2O2/c14-10-1-3-12(16)8(6-10)5-9-7-11(15)2-4-13(9)17/h1-4,6-7,16-17H,5H2
(3)InChIKey: MDNWOSOZYLHTCG-UHFFFAOYAJ

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
dog	LD50	oral	2gm/kg (2000mg/kg)		Pesticide Chemicals Official Compendium, Association of the American Pesticide Control Officials, Inc., 1966. Vol. -, Pg. 361, 1966.
guinea pig	LD50	oral	1250mg/kg (1250mg/kg)		"Pesticide Index," Frear, E.H., ed., State College, PA, College Science Pub., 1969Vol. 5, Pg. 75, 1976.
mouse	LD50	oral	1gm/kg (1000mg/kg)		Journal of Pharmacology and Experimental Therapeutics. Vol. 96, Pg. 238, 1949.
rat	LD50	intravenous	17mg/kg (17mg/kg)		CRC Critical Reviews in Toxicology. Vol. 2, Pg. 445, 1974.
rat	LD50	oral	1506mg/kg (1506mg/kg)		Fundamental and Applied Toxicology. Vol. 7, Pg. 299, 1986.