Products Categories
CAS No.: | 614-77-7 |
---|---|
Name: | o-Tolylurea |
Article Data: | 32 |
Molecular Structure: | |
Formula: | C8H10N2O |
Molecular Weight: | 150.18 |
Synonyms: | Urea,(2-methylphenyl)- (9CI);Urea, o-tolyl- (6CI,7CI,8CI);(2-Methylphenyl)urea;1-(2-Methylphenyl)urea;2-Tolylurea;N-(2-Methylphenyl)urea;N-o-Tolylurea;NSC406061;o-Methylphenylurea;o-Tolylcarbamide;o-Tolylurea; |
EINECS: | 210-394-8 |
Density: | 1.192 g/cm3 |
Melting Point: | 190-195 °C |
Boiling Point: | 247.9 °C at 760 mmHg |
Flash Point: | 103.7 °C |
Solubility: | 2.504g/L(45 oC) |
Appearance: | light beige fluffy powder |
Safety: | 24/25 |
PSA: | 55.12000 |
LogP: | 2.25890 |
The Urea,N-(2-methylphenyl)- is an organic compound with the formula C8H10N2O. The IUPAC name of this chemical is (2-methylphenyl)urea. With the CAS registry number 614-77-7, it is also named as 1-(2-methylphenyl)urea. The product's classification code is Drug / Therapeutic Agent. Besides, it is a light beige fluffy powder, which should be stored in a closed cool and dry place.
Physical properties about Urea,N-(2-methylphenyl)- are: (1)ACD/LogP: 1.29; (2)ACD/LogD (pH 5.5): 1.29; (3)ACD/LogD (pH 7.4): 1.29; (4)ACD/BCF (pH 5.5): 5.63; (5)ACD/BCF (pH 7.4): 5.63; (6)ACD/KOC (pH 5.5): 119.89; (7)ACD/KOC (pH 7.4): 119.89; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 23.55 Å2; (12)Index of Refraction: 1.62; (13)Molar Refractivity: 44.25 cm3; (14)Molar Volume: 125.9 cm3; (15)Polarizability: 17.54×10-24cm3; (16)Surface Tension: 51.7 dyne/cm; (17)Density: 1.192 g/cm3; (18)Flash Point: 103.7 °C; (19)Enthalpy of Vaporization: 48.51 kJ/mol; (20)Boiling Point: 247.9 °C at 760 mmHg; (21)Vapour Pressure: 0.025 mmHg at 25°C.
Uses of Urea,N-(2-methylphenyl)-: it can be used to produce 1-o-tolyl-barbituric acid. It will need reagent NaOEt. The yield is about 12.8%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1ccccc1C)N
(2)InChI: InChI=1/C8H10N2O/c1-6-4-2-3-5-7(6)10-8(9)11/h2-5H,1H3,(H3,9,10,11)
(3)InChIKey: BLSVCHHBHKGCSQ-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C8H10N2O/c1-6-4-2-3-5-7(6)10-8(9)11/h2-5H,1H3,(H3,9,10,11)
(5)Std. InChIKey: BLSVCHHBHKGCSQ-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LDLo | intraperitoneal | 300mg/kg (300mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Journal of Pharmacology and Experimental Therapeutics. Vol. 54, Pg. 188, 1935. |