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1982-49-6

Basic Information
CAS No.: 1982-49-6
Name: SIDURON
Article Data: 7
Molecular Structure:
Molecular Structure of 1982-49-6 (SIDURON)
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: IrritantXi
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.