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Name	Triazinate	EINECS	N/A
CAS No.	41191-04-2	Density	1.32g/cm³
PSA	172.29000	LogP	4.11800
Solubility	N/A	Melting Point	N/A
Formula	C₁₉H₂₁ClN₆O₂•C₂H₆O₃S	Boiling Point	631.1°C at 760 mmHg
Molecular Weight	539.055	Flash Point	335.5°C
Transport Information	N/A	Appearance	N/A
Safety	Poison by intraperitoneal route. Human systemic effects by intravenous route: somnolence, changes in bone marrow, dermatitis, visual field changes, leukopenia, thrombocytopenia, hypermotility, diarrhea, nausea or vomiting. Human mutation data reported. When heated to decomposition it emits very toxic fumes of Cl⁻, NO_x, and SO_x.	Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	Triazinate;	Article Data	1

Triazinate Chemical Properties

Product Name: Triazinate (CAS NO.41191-04-2)

Molecular Formula: C₂₃H₃₁ClN₆O₅S
Molecular Weight: 539.0474g/mol
Mol File: 41191-04-2.mol
Boiling point: 631.1 °C at 760 mmHg
Flash Point: 335.5 °C
Enthalpy of Vaporization: 93.33 kJ/mol
Vapour Pressure: 7.77E-16 mmHg at 25°C
H-Bond Donor: 3
H-Bond Acceptor: 10
Structure Descriptors of Triazinate (CAS NO.41191-04-2):
IUPAC Name: 3-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]-N,N-dimethylbenzamide; ethanesulfonicacid
Canonical SMILES: CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)OCC3=CC=CC(=C3)C(=O)N(C)C)Cl)N)N)C
InChI: InChI=1S/C21H25ClN6O2.C2H6O3S/c1-21(2)26-19(23)25-20(24)28(21)15-8-9-17(16(22)11-15)30-12-13-6-5-7-14(10-13)18(29)27(3)4;1-2-6(3,4)5/h5-11H,12H2,1-4H3,(H4,23,24,25,26);2H2,1H3,(H,3,4,5)
InChIKey: HKPVIFTWECXNPY-UHFFFAOYSA-N

Triazinate Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
dog	LDLo	intravenous	40mg/kg (40mg/kg)	BEHAVIORAL: FOOD INTAKE (ANIMAL) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"	National Technical Information Service. Vol. PB220-397,
human	TDLo	intravenous	8mg/kg (8mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BLOOD: CHANGES IN BONE MARROW NOT INCLUDED ABOVE SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"	Cancer Research. Vol. 36, Pg. 48, 1976.
human	TDLo	intravenous	20mg/kg (20mg/kg)	GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" GASTROINTESTINAL: NAUSEA OR VOMITING SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"	Cancer Vol. 40, Pg. 9, 1977.
human	TDLo	intravenous	24mg/kg/5D (24mg/kg)	BLOOD: LEUKOPENIA BLOOD: THROMBOCYTOPENIA BLOOD: CHANGES IN BONE MARROW NOT INCLUDED ABOVE	Cancer Vol. 38, Pg. 690, 1976.
mouse	LD50	intraperitoneal	58600ug/kg (58.6mg/kg)		National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986,
women	TDLo	intravenous	1355mg/kg/13W (1355mg/kg)	SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"	Archives of Dermatology. Vol. 121, Pg. 232, 1985.

Triazinate Safety Profile

Poison by intraperitoneal route. Human systemic effects by intravenous route: somnolence, changes in bone marrow, dermatitis, visual field changes, leukopenia, thrombocytopenia, hypermotility, diarrhea, nausea or vomiting. Human mutation data reported. When heated to decomposition it emits very toxic fumes of Cl⁻, NO_x, and SO_x.

Triazinate Specification

Triazinate ,its CAS NO. is 41191-04-2,the synonyms is BAF ; Baker's Antifol ; Baker's Antifol soluble ; Baker's Antifolante ; NSC 139105 ; TZT ; Ethanesulfonic acid, compd. with 3-((2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy)methyl)-N,N-dimethylbenzamide (1:1) (9CI) ; m-Toluamide, alpha-(2-chloro-4-(4,6-diamino-2,2-dimethyl-s-triazine-1(2H)-yl)phenoxy)-N,N-dimethyl-, ethanesulfonate .

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