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| CAS No.: | 1982-49-6 |
|---|---|
| Name: | SIDURON |
| Molecular Structure: | |
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| Formula: | C14H20N2O |
| Molecular Weight: | 232.326 |
| Synonyms: | 1-(2-Methylcyclohexyl)-3-phenylharnstoff; |
| EINECS: | 217-844-2 |
| Density: | 1.07 g/cm3 |
| Melting Point: | 135.5℃ |
| Boiling Point: | 341.4 °C at 760 mmHg |
| Flash Point: | 121.5 °C |
| Solubility: | 18mg/L(25 oC) |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38-52/53 |
| Safety: | 26-61 |
| PSA: | 41.13000 |
| LogP: | 3.85070 |
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Specification
The Urea,N-(2-methylcyclohexyl)-N'-phenyl-, with the CAS registry number of 1982-49-6, is also known as 1-(2-Methylcyclohexyl)-3-phenylharnstoff. Its EINECS registry number is 217-844-2. Its molecular formula is C14H20N2O and molecular weight is 232.32. What's more, its IUPAC name is 1-(2-Methylcyclohexyl)-3-phenylurea. This chemical's classification codes are Agricultural Chemical; Herbicide; Mutation data. In addition, it must be stored in airtight containers and placed in a dry, cool place.
Physical properties about the Urea,N-(2-methylcyclohexyl)-N'-phenyl- are: (1)ACD/LogP: 3.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.66; (4)ACD/LogD (pH 7.4): 3.66; (5)ACD/BCF (pH 5.5): 356.32; (6)ACD/BCF (pH 7.4): 356.3; (7)ACD/KOC (pH 5.5): 2334.58; (8)ACD/KOC (pH 7.4): 2334.45; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 23.55 Å2; (13)Index of Refraction: 1.551; (14)Molar Refractivity: 69.12 cm3; (15)Molar Volume: 216.3 cm3; (16)Surface Tension: 42.4 dyne/cm; (17)Density: 1.07 g/cm3; (18)Flash Point: 121.5 °C; (19)Enthalpy of Vaporization: 58.5 kJ/mol; (20)Boiling Point: 341.4 °C at 760 mmHg; (21)Vapour Pressure: 8.08E-05 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In addition, it is harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(NC1CCCCC1C)Nc2ccccc2
(2) InChI: InChI=1/C14H20N2O/c1-11-7-5-6-10-13(11)16-14(17)15-12-8-3-2-4-9-12/h2-4,8-9,11,13H,5-7,10H2,1H3,(H2,15,16,17)
(3) InChIKey: JXVIIQLNUPXOII-UHFFFAOYAY
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LD50 | oral | 5gm/kg (5000mg/kg) | Pesticide Chemicals Official Compendium, Association of the American Pesticide Control Officials, Inc., 1966. Vol. -, Pg. 719, 1966. | |
| rat | LD50 | skin | > 5500mg/kg (5500mg/kg) | World Review of Pest Control. Vol. 9, Pg. 119, 1970. |