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| Name |
5-Chloro-2-(2,4-dichlorophenoxy)phenol |
EINECS | 222-182-2 |
| CAS No. | 88032-08-0 | Density | 1.49 g/cm3 |
| PSA | 29.46000 | LogP | 5.14470 |
| Solubility | 微溶于水，在稀碱中溶解度适中，溶于乙醇、丙酮等有机 | Melting Point |
54 to 57.3oC |
| Formula | C12H7Cl3O2 | Boiling Point | 344.6 °C at 760 mmHg |
| Molecular Weight | 289.545 | Flash Point | 162.2 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2,2'-Oxybis(1',5'-dichlorophenyl-5-chlorophenol);2,4,4'-Trichloro-2'-hydroxydiphenyl ether;2,4,4'-Trichloro-2'-hydroxyldiphenyl ether;2-Hydroxy-2',4,4'-trichlorodiphenyl ether;2',4,4'-Trichloro-2-hydroxydiphenyl ether;2',4',4-Trichloro-2-hydroxydiphenylether;2'-Hydroxy-2,4,4'-trichlorodiphenyl ether;3-Chloro-6-(2,4-dichlorophenoxy)phenol;4-Chloro-2-hydroxyphenyl2,4-dichlorophenyl ether;Aquasept;Bacti-Stat soap;CH 3565;CH 3635;Cansan TCH;DP 300;Irgacare MP;Irgacide LP 10;Irgaguard B 1000;Irgaguard B 1325;Irgasan;Irgasan CH 3565;Irgasan DP 3000;Irgasan DP 400;Irgasan PE 30;Irgasan PG 60;Microban;Microban Additive B;Microban B;NM 100;Oletron;Sanitized XTX;Sapoderm;SterZac;TCCP;THDP;Tinosan AM 100;Tinosan AM 110;Triclosan;Ultra-Fresh NM 100;Ultra-Fresh NM-V 2;Vinyzene DP 7000;Yujiexin;Zilesan UW; |
5-Chloro-2-(2,4-dichlorophenoxy)phenol Specification
The Phenol,5-chloro-2-(2,4-dichlorophenoxy)-, with CAS registry number 88032-08-0, has the systematic name of 5-chloro-2-(2,4-dichlorophenoxy)phenol. Besides this, it is also called 2,4,4'-Trichloro-2'-hydroxydiphenyl ether. And the chemical formula of this chemical is C12H7Cl3O2.
Physical properties of Phenol,5-chloro-2-(2,4-dichlorophenoxy)-: (1)ACD/LogP: 5.17; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.17; (4)ACD/LogD (pH 7.4): 5.03; (5)ACD/BCF (pH 5.5): 5015.37; (6)ACD/BCF (pH 7.4): 3607.97; (7)ACD/KOC (pH 5.5): 15475.83; (8)ACD/KOC (pH 7.4): 11133.05; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.631; (14)Molar Refractivity: 69.26 cm3; (15)Molar Volume: 194.3 cm3; (16)Polarizability: 27.45×10-24cm3; (17)Surface Tension: 51.7 dyne/cm; (18)Density: 1.49 g/cm3; (19)Flash Point: 162.2 °C; (20)Enthalpy of Vaporization: 61.19 kJ/mol; (21)Boiling Point: 344.6 °C at 760 mmHg; (22)Vapour Pressure: 3.26E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc2cc(Cl)ccc2Oc1ccc(Cl)cc1O
(2)InChI: InChI=1/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H
(3)InChIKey: XEFQLINVKFYRCS-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H
(5)Std. InChIKey: XEFQLINVKFYRCS-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 84mg/kg (84mg/kg) | Yakkyoku. Pharmacy. Vol. 28, Pg. 985, 1977. | |
| mouse | LD50 | oral | 4530mg/kg (4530mg/kg) | "Pesticides Symposia; Collection of Papers Presented at the Sixth & Seventh Inter-American Conferences on Toxicology and Occupational Medicine, Miami, FL," Miami, FL, J.L. Halos, 1968-70Vol. 6, Pg. 245, 1968/1970. | |
| mouse | LD50 | subcutaneous | 3800mg/kg (3800mg/kg) | Yakkyoku. Pharmacy. Vol. 28, Pg. 985, 1977. | |
| rabbit | LD50 | skin | 9300mg/kg (9300mg/kg) | Industrial Medicine and Surgery. Vol. 38, Pg. 64, 1969. | |
| rat | LD50 | intraperitoneal | 89mg/kg (89mg/kg) | Yakkyoku. Pharmacy. Vol. 28, Pg. 985, 1977. | |
| rat | LD50 | intravenous | 29mg/kg (29mg/kg) | Industrial Medicine and Surgery. Vol. 38, Pg. 64, 1969. | |
| rat | LD50 | oral | 3700mg/kg (3700mg/kg) | "Pesticides Symposia; Collection of Papers Presented at the Sixth & Seventh Inter-American Conferences on Toxicology and Occupational Medicine, Miami, FL," Miami, FL, J.L. Halos, 1968-70Vol. 6, Pg. 245, 1968/1970. | |
| rat | LD50 | subcutaneous | 3900mg/kg (3900mg/kg) | Yakkyoku. Pharmacy. Vol. 28, Pg. 985, 1977. |
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