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