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614-77-7

Basic Information
CAS No.: 614-77-7
Name: o-Tolylurea
Article Data: 32
Molecular Structure:
Molecular Structure of 614-77-7 (o-Tolylurea)
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
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    Product Name: O-TOLYLUREA Synonyms: AKOS B028822;LABOTEST-BB LT00454975;(2-methylphenyl)urea;1-(2-methylphenyl)urea;o-methylphenylurea;o-tolylcarbamide;o-tolyl-ure;N-(2-METHYLPHENYL)UREA CAS: 614-77-7 MF: C8H10N2O MW: 150.18 Appearance:whit

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Specification

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.