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CAS No.: | 2439-10-3 |
---|---|
Name: | Dodine |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C13H29N3.C2H4O2 |
Molecular Weight: | 287.446 |
Synonyms: | Dodecylguanidine monoacetate; |
EINECS: | 219-459-5 |
Density: | 0.9636 (rough estimate) |
Melting Point: | 136 °C |
Boiling Point: | 352.8 °C at 760 mmHg |
Flash Point: | 167.2 °C |
Solubility: | soluble in hot water |
Appearance: | colorless or white, slightly waxy crystalline solid |
Hazard Symbols: | N, Xi |
Risk Codes: | 22-36/38-50/53 |
Safety: | 26-60-61 |
Transport Information: | UN 3077 |
PSA: | 99.20000 |
LogP: | 4.67220 |
The CAS register number of Dodine is 2439-10-3. It also can be called as Guanidine, N-dodecyl-, acetate (1:1) and the IUPAC name about this chemical is acetic acid; 2-dodecylguanidine. The molecular formula about this chemical is C13H29N3.C2H4O2 and the molecular weight is 287.44. It belongs to the following product categories, such as Insecticide; Aliphatics Containing Nitrogen Alphabetic; D; DJ - DZ; Fungicides; Pesticides and so on. This chemical can be used as non-absorbent protective fungicides. This chemical is stable under normal temperature and pressure. If you want to store this chemical, please keep it in a tightly closed container and store it in a cool, dry, well-ventilated area away from incompatible substances.
Physical properties about Dodine are: (1)ACD/LogP: 4.86; (2)ACD/LogD (pH 5.5): 2.86; (3)ACD/LogD (pH 7.4): 2.87; (4)ACD/BCF (pH 5.5): 28.89; (5)ACD/BCF (pH 7.4): 29.57; (6)ACD/KOC (pH 5.5): 104.43; (7)ACD/KOC (pH 7.4): 106.89; (8)#H bond acceptors: 3; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 11; (11)Polar Surface Area: 18.84Å2; (12)Flash Point: 167.2 °C; (13)Enthalpy of Vaporization: 59.77 kJ/mol; (14)Boiling Point: 352.8 °C at 760 mmHg; (15)Vapour Pressure: 3.74E-05 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed and it is irritating to eyes and skin, it is very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. When you are using it, please avoid release to the environment. Refer to special instructions / safety data sheets. This material and its container must be disposed of as hazardous waste. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C.N(=C(\N)N)\CCCCCCCCCCCC
(2)InChI: InChI=1/C13H29N3.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15;1-2(3)4/h2-12H2,1H3,(H4,14,15,16);1H3,(H,3,4)
(3)InChIKey: YIKWKLYQRFRGPM-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C13H29N3.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15;1-2(3)4/h2-12H2,1H3,(H4,14,15,16);1H3,(H,3,4)
(5)Std. InChIKey: YIKWKLYQRFRGPM-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
duck | LD50 | oral | 1142mg/kg (1142mg/kg) | Pesticide Manual. Vol. 9, Pg. 326, 1991. | |
guinea pig | LD50 | oral | 176mg/kg (176mg/kg) | "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 64, 1982. | |
guinea pig | LDLo | skin | 2gm/kg (2000mg/kg) | "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 64, 1982. | |
mouse | LC50 | inhalation | 129mg/m3/2H (129mg/m3) | "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 64, 1982. | |
mouse | LD50 | oral | 266mg/kg (266mg/kg) | "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 64, 1982. | |
quail | LD50 | oral | 788mg/kg (788mg/kg) | Pesticide Manual. Vol. 9, Pg. 326, 1991. | |
rabbit | LD50 | oral | 535mg/kg (535mg/kg) | "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 64, 1982. | |
rabbit | LD50 | skin | 2100mg/kg (2100mg/kg) | GASTROINTESTINAL: ULCERATION OR BLEEDING FROM STOMACH BLOOD: HEMORRHAGE SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" | Toxicology and Applied Pharmacology. Vol. 3, Pg. 127, 1961. |
rat | LD50 | oral | 660mg/kg (660mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" GASTROINTESTINAL: OTHER CHANGES | Toxicology and Applied Pharmacology. Vol. 3, Pg. 127, 1961. |
rat | LD50 | skin | > 6gm/kg (6000mg/kg) | Farm Chemicals Handbook. Vol. -, Pg. C116, 1991. | |
rat | LD50 | unreported | 1gm/kg (1000mg/kg) | "Chemistry of Pesticides," Melnikov, N.N., New York, Springer-Verlag New York, Inc., 1971Vol. -, Pg. 239, 1971. |