Product Name

  • Name

    2-CHLORO-ALPHA-[2-DIMETHYLAMINOETHYL]BENZHYDROL HYDROCHLORIDE

  • EINECS 208-124-9
  • CAS No. 511-13-7
  • Density g/cm3
  • Solubility
  • Melting Point 190-191°
  • Formula C17H20 Cl N O . Cl H
  • Boiling Point 429.8°Cat760mmHg
  • Molecular Weight 326.266
  • Flash Point 213.7°C
  • Transport Information
  • Appearance
  • Safety Poison by ingestion, subcutaneous, intramuscular, intravenous, and intraperitoneal routes. Experimental reproductive effects. An experimental teratogen. When heated to decomposition it emits toxic fumes of NOx and HCl.
  • Risk Codes 25
  • Molecular Structure Molecular Structure of 511-13-7 (2-CHLORO-ALPHA-[2-DIMETHYLAMINOETHYL]BENZHYDROL HYDROCHLORIDE)
  • Hazard Symbols T
  • Synonyms Benzenemethanol,2-chloro-a-[2-(dimethylamino)ethyl]-a-phenyl-, hydrochloride (9CI);Benzhydrol, 2-chloro-a-[2-(dimethylamino)ethyl]-, hydrochloride (7CI,8CI);1-o-Chlorophenyl-1-phenyl-3-dimethylamino-1-propanol hydrochloride;2-Chloro-a-[2-(dimethylamino)ethyl]benzhydrolhydrochloride;Chlophedianol hydrochloride;Clofedanol hydrochloride;Coldrin;Detigon;Pectolitan;Refugal;SK 74;SL 501;ULO;Ulone;a-(2-Dimethylaminoethyl)-o-chlorobenzhydrolhydrochloride;
  • PSA 23.47000
  • LogP 4.32960

Chlophedianol hydrochloride Specification

Chlophedianol hydrochloride, with the CAS NO. 511-13-7, it is also called 1-o-Chlorophenyl-1-phenyl-3-dimethylamino-1-propanol; hydrochloride; 2-Chloro-alpha-(2-(dimethylamino)ethyl)benzhydrol; hydrochloride; Bayer B-186; Bayer-186.  It is colorless crystal or white crystalline powder and solubility:Soluble in water, methanol, ethanol, insoluble in ether, benzene, ethyl acetate. Chlophedianol hydrochloride(CAS NO.511-13-7) is non-narcotic antitussives.

Physical properties about Chlophedianol hydrochloride are: (1)ACD/LogP: 3.808; (2)ACD/LogD (pH 5.5): 0.84; (3)ACD/LogD (pH 7.4): 2.16; (4)ACD/BCF (pH 5.5): 1.00 ; (5)ACD/BCF (pH 7.4): 10.29; (6)ACD/KOC (pH 5.5): 3.01 ; (7)ACD/KOC (pH 7.4): 62.61; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 6; (11)Flash Point: 213.7 °C; (12)Enthalpy of Vaporization: 72.22 kJ/mol; (13)Boiling Point: 429.8 °C at 760 mmHg; (14)Vapour Pressure: 3.77E-08 mmHg at 25°C

When you are using Chlophedianol hydrochloride, please be cautious about it as the following:
1. Wear suitable protective clothing, gloves and eye/face protection;
2. In case of accident or if you feel unwell, seek medical advice immediately (show label where possible);

You can still convert the following datas into molecular structure:
(1)InChI=1S/C17H20ClNO.ClH/c1-19(2)13-12-17(20,14-8-4-3-5-9-14)15-10-6-7-11-16(15)18;/h3-11,20H,12-13H2,1-2H3;1H;
(2)InChIKey=XYGSFNHCFFAJPO-UHFFFAOYSA-N;
(3)Smilesc1cc(c(Cl)cc1)[C@@](c1ccccc1)(O)CCN(C)C.Cl;

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo oral 80mg/kg (80mg/kg)   United States Patent Document. Vol. #3031377,
dog LD50 oral 84mg/kg (84mg/kg)   Yakkyoku. Pharmacy. Vol. 32, Pg. 1281, 1981.
guinea pig LDLo subcutaneous 130mg/kg (130mg/kg)   United States Patent Document. Vol. #3031377,
mammal (species unspecified) LD50 subcutaneous 186mg/kg (186mg/kg)   "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 369, 1972.
mouse LD50 intraperitoneal 130mg/kg (130mg/kg)   Gendai no Rinsho. Vol. 7, Pg. 177, 1973.
mouse LD50 intravenous 42mg/kg (42mg/kg)   Therapie. Vol. 15, Pg. 93, 1960.
 
mouse LD50 oral 284mg/kg (284mg/kg)   Therapie. Vol. 15, Pg. 93, 1960.
 
mouse LD50 subcutaneous 95mg/kg (95mg/kg)   United States Patent Document. Vol. #3031377,
rabbit LDLo subcutaneous > 50mg/kg (50mg/kg)   United States Patent Document. Vol. #3031377,
rat LD50 intramuscular 268mg/kg (268mg/kg)   Gendai no Rinsho. Vol. 7, Pg. 177, 1973.
rat LD50 intraperitoneal 295mg/kg (295mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 12, Pg. 933, 1981.
rat LD50 intravenous 53mg/kg (53mg/kg)   Gendai no Rinsho. Vol. 7, Pg. 177, 1973.
rat LD50 oral 350mg/kg (350mg/kg)   United States Patent Document. Vol. #3031377,
rat LD50 subcutaneous 440mg/kg (440mg/kg)   Gendai no Rinsho. Vol. 7, Pg. 177, 1973.

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