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Basic Information
CAS No.: 64474-06-2
Name: 1,3,5-trichloro-1,3,5-triazine-2,4,6(1H,3H,5H)-trione, compound with 1,3-dichloro-1,3,5-triazine-2,4,6(1H,3H,5H)-trione, potassium salt (1:4)
Molecular Structure:
Molecular Structure of 64474-06-2 (1,3,5-trichloro-1,3,5-triazine-2,4,6(1H,3H,5H)-trione, compound with 1,3-dichloro-1,3,5-triazine-2,4,6(1H,3H,5H)-trione, potassium salt (1:4))
Formula: C3HCl2N3O3•1/4C3Cl3N3O3•K
Molecular Weight: 468.466
Density: g/cm3
Boiling Point: 272.3°Cat760mmHg
Flash Point: 118.5°C
Hazard Symbols: Moderately toxic by ingestion. Low toxicity by skin contact.
Safety: Moderately toxic by ingestion. Low toxicity by skin contact. When heated to decomposition it emits toxic vapors of NOx and Cl−.
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Chemistry

Molecule structure of ACL 66 (CAS NO.64474-06-2): 

IUPAC Name: Tetrapotassium; 1,5-dichloro-4,6-dioxo-1,3,5-triazin-2-olate;1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione 
Molecular Weight: 1176.6282 g/mol
Molecular Formula: C15Cl11K4N15O15
H-Bond Acceptor: 15
Exact Mass: 1174.476137
MonoIsotopic Mass: 1170.482037
Topological Polar Surface Area: 365
Heavy Atom Count: 60
Complexity: 432
Canonical SMILES: C1(=NC(=O)N(C(=O)N1Cl)Cl)[O-].C1(=NC(=O)N(C(=O)N1Cl)Cl)[O-].C1(=NC(=O)N(C(=O)N1Cl)Cl)[O-].C1(=NC(=O)N(C(=O)N1Cl)Cl)[O-].C1(=O)N(C(=O)N(C(=O)N1Cl)Cl)Cl.[K+].[K+].[K+].[K+]
InChI: InChI=1S/C3Cl3N3O3.4C3HCl2N3O3.4K/c4-7-1(10)8(5)3(12)9(6)2(7)11;4*4-7-1(9)6-2(10)8(5)3(7)11;;;;/h;4*(H,6,9,10);;;;/q;;;;;4*+1/p-4
InChIKey: NSUYGRHTCQVYET-UHFFFAOYSA-J
EINECS of ACL 66 (CAS NO.64474-06-2): 264-903-3

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
duck LD50 oral 1916mg/kg (1916mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ATAXIA

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS		 National Technical Information Service. Vol. OTS0545814,
rabbit LDLo skin 5010mg/kg (5010mg/kg) BEHAVIORAL: MUSCLE WEAKNESS

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

LIVER: OTHER CHANGES		 Monsanto Co. Toxicity Information. Vol. -, Pg. -, 1972.
rat LD50 oral 3945mg/kg (3945mg/kg) GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

LUNGS, THORAX, OR RESPIRATION: DYSPNEA		 Monsanto Co. Toxicity Information. Vol. -, Pg. -, 1972.

Safety Profile

Moderately toxic by ingestion. Low toxicity by skin contact. When heated to decomposition it emits toxic vapors of NOx and Cl−.

Specification

 ACL 66 (CAS NO.64474-06-2) is also named as 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-trichloro-, compd. with 1,3-dichloro-1,3,5-triazine-2,4,6(1H,3H,5H)-trione potassium salt (1:4) ; 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-trichloro-, compd. with 1,3-dichloro-1,3,5-triazine-2,4,6(1H,3H,5H)-trione potassium salt (1:4:4) ; 1,3,5-Trichloro-1,3,5-triazine-2,4,6(1H,3H,5H)-trione, compound with 1,3-dichloro-1,3,5-triazine-2,4,6(1H,3H,5H)-trione, potassium salt (1:4) .