CAS 79-90-3|triclobisonium chloride

Introduction:Basic information about CAS 79-90-3|triclobisonium chloride, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common Nametriclobisonium chloride
CAS Number79-90-3Molecular Weight605.89200
Density/Boiling Point/
Molecular FormulaC36H74Cl2N2Melting Point/
MSDS/Flash Point/

Names

Name6-[dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azaniumyl]hexyl-dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azanium,dichloride
SynonymMore Synonyms

Chemical & Physical Properties

Molecular FormulaC36H74Cl2N2
Molecular Weight605.89200
Exact Mass604.52300
LogP3.96980
InChIKeyJMTNOKRGERWNME-UHFFFAOYSA-L
SMILESCC1CCCC(C)(C)C1CCC(C)[N+](C)(C)CCCCCC[N+](C)(C)C(C)CCC1C(C)CCCC1(C)C.[Cl-].[Cl-]

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
BQ8343000
CHEMICAL NAME :
Ammonium, hexamethylenebis(1-methyl-3-(2,2,6-trimethylcyclohexy l)propyl)bis(dimethyl -, dichloride
CAS REGISTRY NUMBER :
79-90-3
LAST UPDATED :
199203
DATA ITEMS CITED :
7
MOLECULAR FORMULA :
C36-H74-N2.2Cl
MOLECULAR WEIGHT :
606.02
WISWESSER LINE NOTATION :
L6TJ A1 A1 C1 B2Y1&K1&1&6K1&1&Y1&2- BL6TJ A1 A1 C1 &G 2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>400 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ANTCAO Antibiotics and Chemotherapy (Washington, DC). (Washington, DC) V.1-12, 1951-62. For publisher information, see CLMEA3. Volume(issue)/page/year: 9,267,1959
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
375 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ANTCAO Antibiotics and Chemotherapy (Washington, DC). (Washington, DC) V.1-12, 1951-62. For publisher information, see CLMEA3. Volume(issue)/page/year: 9,267,1959
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
35 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ANTCAO Antibiotics and Chemotherapy (Washington, DC). (Washington, DC) V.1-12, 1951-62. For publisher information, see CLMEA3. Volume(issue)/page/year: 9,267,1959
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
154 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 6,780,1963
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
12500 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ANTCAO Antibiotics and Chemotherapy (Washington, DC). (Washington, DC) V.1-12, 1951-62. For publisher information, see CLMEA3. Volume(issue)/page/year: 9,267,1959
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
>20 mg/kg
TOXIC EFFECTS :
Gastrointestinal - nausea or vomiting
REFERENCE :
ANTCAO Antibiotics and Chemotherapy (Washington, DC). (Washington, DC) V.1-12, 1951-62. For publisher information, see CLMEA3. Volume(issue)/page/year: 9,267,1959
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
8 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ANTCAO Antibiotics and Chemotherapy (Washington, DC). (Washington, DC) V.1-12, 1951-62. For publisher information, see CLMEA3. Volume(issue)/page/year: 9,267,1959

Safety Information

Risk Phrases36/37/38
RIDADRUN 3264 8/PG 3
WGK Germany3

Synonyms

Ro-5-0810/1
Hexamethylenebis(dimethyl(1-methyl-3-(2,2,6-trimethylcyclohexyl)propyl)ammonium chloride)
EINECS 201-232-7
Chlorure de triclobisonium [INN-French]
Triclobisonii chloridum [INN-Latin]
Triclobisonium chloride
Triburon chloride
Triburon
Chloruro de triclobisonio [INN-Spanish]
1,6-bis[1-methyl-3-(2,2,6-trimethylcyclohexyl)-propyldimethyl ammonium chloride]-hexane
N,N,N',N'-Tetramethyl-N,N'-bis-<1-methyl-3-(2,2,6-trimethyl-cyclohexyl)-propyl>-hexan-1,6-diammonium
Hexamethylenebis(dimethyl(1-methyl-3-(2,2,6-trimethylcyclohexyl)propyl)ammonium) dichloride
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