-
Name
Triazinate
- EINECS
- CAS No. 41191-04-2
- Article Data1
- CAS DataBase
- Density 1.32g/cm3
- Solubility
- Melting Point
- Formula C19H21ClN6O2•C2H6O3S
- Boiling Point 631.1°C at 760 mmHg
- Molecular Weight 539.055
- Flash Point 335.5°C
- Transport Information
- Appearance
- 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−, NOx, and SOx.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Triazinate;
- PSA 172.29000
- LogP 4.11800
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−, NOx, and SOx.
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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