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52-46-0

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Basic Information
CAS No.: 52-46-0
Name: 2,2,4,4,6,6-hexaaziridin-1-yl-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-tri phosphacyclohexa-1,3,5-triene
Article Data: 4
Molecular Structure:
Molecular Structure of 52-46-0 (2,2,4,4,6,6-hexaaziridin-1-yl-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-tri phosphacyclohexa-1,3,5-triene)
Formula: C12H24 N9 P3
Molecular Weight: 387.304
Synonyms: 1,3,5,2,4,6-Triazatriphosphorine,2,2,4,4,6,6-hexakis(1-aziridinyl)-2,2,4,4,6,6-hexahydro- (6CI,7CI,8CI,9CI);2,2,4,4,6,6-Hexahydro-2,2,4,4,6,6-hexakis(1-aziridinyl)-1,3,5,2,4,6-triazatriphosphorine;2,2,4,4,6,6-Hexakis(1-aziridinyl)-2,2,4,4,6,6-hexahydro-1,3,5,2,4,6-triazatriphosphorine;2,2,4,4,6,6-Hexakis(1-aziridinyl)cyclotriphosphaza-1,3,5-triene; APN; Apholate;ENT 26316; Hexa(1-aziridinyl)triphosphatriazine;Hexakis(aziridinyl)phosphotriazine; Myko 63; NSC 26812
Density: 2.32g/cm3
Melting Point: 147.5°
Boiling Point: °Cat760mmHg
Flash Point: °C
Solubility: 100g/L(temperature not stated)
Safety: Poison by ingestion and intramuscular routes. An experimental teratogen. Other experimental reproductive effects. Human mutagenic data. Questionable carcinogen. When heated to decomposition it emits very toxic fumes of NOx and POx.
PSA: 84.57000
LogP: -0.33360
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Chemistry

Product Name: Apholate (CAS NO.52-46-0)


Molecular Formula: C12H24N9P3
Molecular Weight: 387.3005 g/mol
Mol File: 52-46-0.mol
Density: 2.32 g/cm3
Surface Tension: 186.5 dyne/cm
XLogP3-AA: 0.6
H-Bond Donor: 0
H-Bond Acceptor: 9

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
bird - domestic LD50 oral 179mg/kg (179mg/kg) PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)

BEHAVIORAL: FOOD INTAKE (ANIMAL)

BEHAVIORAL: ATAXIA		 Toxicology and Applied Pharmacology. Vol. 9, Pg. 279, 1966.
bird - wild LD50 oral 246mg/kg (246mg/kg) PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)

BEHAVIORAL: FOOD INTAKE (ANIMAL)

BEHAVIORAL: ATAXIA		 Toxicology and Applied Pharmacology. Vol. 9, Pg. 279, 1966.
chicken LD50 oral 246mg/kg (246mg/kg) PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)

BEHAVIORAL: FOOD INTAKE (ANIMAL)

BEHAVIORAL: ATAXIA		 Toxicology and Applied Pharmacology. Vol. 9, Pg. 279, 1966.
domestic animals - goat/sheep LDLo intramuscular 5mg/kg (5mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

LUNGS, THORAX, OR RESPIRATION: DYSPNEA		 Annals of the New York Academy of Sciences. Vol. 111, Pg. 715, 1964.
domestic animals - goat/sheep LDLo oral 50mg/kg (50mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"		 Annals of the New York Academy of Sciences. Vol. 111, Pg. 715, 1964.
mouse LD50 intraperitoneal 50mg/kg (50mg/kg)   Journal of Medicinal Chemistry. Vol. 29, Pg. 1341, 1986.
mouse LD50 oral 110mg/kg (110mg/kg)   Journal of Agricultural and Food Chemistry. Vol. 14, Pg. 301, 1966.
mouse LD50 subcutaneous 25mg/kg (25mg/kg) LIVER: "HEPATITIS (HEPATOCELLULAR NECROSIS), ZONAL"

BLOOD: CHANGES IN SPLEEN

KIDNEY, URETER, AND BLADDER: "CHANGES IN TUBULES (INCLUDING ACUTE RENAL FAILURE, ACUTE TUBULAR NECROSIS)"		 Farmakologiya i Toksikologiya Vol. 8, Pg. 73, 1973.
quail LD50 oral 179mg/kg (179mg/kg) PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)

BEHAVIORAL: ATAXIA

BEHAVIORAL: FOOD INTAKE (ANIMAL)		 Toxicology and Applied Pharmacology. Vol. 9, Pg. 279, 1966.
rabbit LD50 intravenous 2900ug/kg (2.9mg/kg) LIVER: "HEPATITIS (HEPATOCELLULAR NECROSIS), ZONAL"

KIDNEY, URETER, AND BLADDER: "CHANGES IN TUBULES (INCLUDING ACUTE RENAL FAILURE, ACUTE TUBULAR NECROSIS)"

BLOOD: CHANGES IN SPLEEN		 Farmakologiya i Toksikologiya Vol. 8, Pg. 73, 1973.
rat LD50 oral 98mg/kg (98mg/kg)   Toxicology and Applied Pharmacology. Vol. 14, Pg. 515, 1969.
rat LD50 skin 400mg/kg (400mg/kg)   Bulletin of the World Health Organization. Vol. 31, Pg. 737, 1964.
rat LD50 subcutaneous 21mg/kg (21mg/kg) LIVER: "HEPATITIS (HEPATOCELLULAR NECROSIS), ZONAL"

KIDNEY, URETER, AND BLADDER: "CHANGES IN TUBULES (INCLUDING ACUTE RENAL FAILURE, ACUTE TUBULAR NECROSIS)"

BLOOD: CHANGES IN SPLEEN		 Farmakologiya i Toksikologiya Vol. 8, Pg. 73, 1973.

Consensus Reports

IARC Cancer Review: Group 3 IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 (1987),p. 56.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Inadequate Evidence IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 9 (1975),p. 31.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . EPA Genetic Toxicology Program.

Safety Profile

Poison by ingestion and intramuscular routes. An experimental teratogen. Other experimental reproductive effects. Human mutagenic data. Questionable carcinogen. When heated to decomposition it emits very toxic fumes of NOx and POx.

Specification

 Apholate ,its CAS NO. is 52-46-0,the synonyms is 2,2,4,4,6,6-Hexaaziridin-1-yl-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-tri phosphacyclohexa-1,3,5-triene ; 2,2,4,4,6,6-Hexakis(1-aziridinyl)-2,2,4,4,6,6-hexahydro-1,. ; Apn ; Myko 63 ; Myko-63 ; Nsc-26812 ; Om-2174 .