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1-(3-CHLOROALLYL)-3,5,7-TRIAZA-1-AZONIAADAMANTANE CHLORIDE
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1-(3-CHLOROALLYL)-3,5,7-TRIAZA-1-AZONIAADAMANTANE CHLORIDE

 EINECS 223-805-0
CAS No. 4080-31-3 Density g/cm3
PSA 9.72000 LogP -2.97600
Solubility N/A Melting Point 178-210 °C
Formula C9H16 Cl N4 . Cl Boiling Point °Cat760mmHg
Molecular Weight 251.19 Flash Point °C
Transport Information N/A Appearance N/A
Safety Poison by ingestion. Moderately toxic by skin contact. Experimental teratogenic effects. A skin irritant. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx and Cl−. Risk Codes N/A
Molecular Structure Molecular Structure of 4080-31-3 (Quaternium-15) Hazard Symbols N/A
Synonyms

1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantanechloride (7CI); 3,5,7-Triaza-1-azoniaadamantane, 1-(3-chloroallyl)-, chloride(8CI); 3,5,7-Triaza-1-azoniatricyclo[3.3.1.13,7]decane,1-(3-chloro-2-propenyl)-, chloride (9CI);1,3,5,7-Tetraazatricyclo[3.3.1.13,7]decane,3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane deriv.;1-(3-Chloro-2-propenyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decanechloride; 1-(3-Chloroallyl)-3,5,7-triaza-1-azoniadamantane chloride;1-(3-Chloroallyl)-3,5,7-triaza-1-azoniumadamantane chloride;3-(3'-Chloroallyl)hexamethylenetetraammonium chloride; Dowco 184; Dowicide Q;Dowicil 100; Dowicil 75; N-(3-Chloroallyl)hexaminium chloride; Quaternium 15

 

1-(3-CHLOROALLYL)-3,5,7-TRIAZA-1-AZONIAADAMANTANE CHLORIDE Chemical Properties

1-(3-Chloroallyl)-3,5,7-Triaza-1-Azoniaadamantane chloride(4080-31-3) is also named as methenamine 3-chloroallylochloride;Hexamethylenetetraminechloroallylchloride;3,5,7-Triaza-1-azoniatricyclo3.3.1.13,7decane, 1-(3-chloro-2-propenyl)-, chloride;N-(3-Chloroallyl)hexaminium chloride,and so on.1-(3-Chloroallyl)-3,5,7-Triaza-1-Azoniaadamantane chloride(4080-31-3) is white or off-white powder.

CAS: 4080-31-3
Molecular Formula: C9H16Cl2N4
Molecular Weight: 251.16
Molecular structure:
EINECS: 223-805-0
Topological Polar Surface Area: 9.7
Heavy Atom Count: 15
Formal Charge: 0
Complexity: 224
Isotope Atom Count: 0
Defined Atom StereoCenter Count: 0
Undefined Atom StereoCenter Count: 0
Defined Bond StereoCenter Count: 1
Undefined Bond StereoCenter Count: 0
Covalently-Bonded Unit Count: 2

1-(3-CHLOROALLYL)-3,5,7-TRIAZA-1-AZONIAADAMANTANE CHLORIDE Uses

1-(3-Chloroallyl)-3,5,7-Triaza-1-Azoniaadamantane chloride(4080-31-3) is commonly used as organic reagents.

1-(3-CHLOROALLYL)-3,5,7-TRIAZA-1-AZONIAADAMANTANE CHLORIDE Toxicity Data With Reference

1.   

skn-rbt 500 mg/24H MLD

   JACTDZ    Journal of the American College of Toxicology. 5 (3)(1986),61.
2.   

mma-sat 333 µg/plate

   EMMUEG    Environmental and Molecular Mutagenesis. 11 (Suppl 12)(1988),1.
3.   

orl-rat LD50:500 mg/kg

   PCOC**    Pesticide Chemicals Official Compendium ,Association of the American Pesticide Control Officials, Inc.Topeka, KS.: 1966,455.
4.   

orl-rbt LD50:78,500 µg/kg

   JACTDZ    Journal of the American College of Toxicology. 5 (3)(1986),61.
5.   

skn-rbt LD50:565 mg/kg

   JACTDZ    Journal of the American College of Toxicology. 5 (3)(1986),61.

RTECS:  XX8450000

1-(3-CHLOROALLYL)-3,5,7-TRIAZA-1-AZONIAADAMANTANE CHLORIDE Consensus Reports

Reported in EPA TSCA Inventory.

1-(3-CHLOROALLYL)-3,5,7-TRIAZA-1-AZONIAADAMANTANE CHLORIDE Safety Profile

Poison by ingestion. Moderately toxic by skin contact. Experimental teratogenic effects. A skin irritant. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx and Cl−.
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