Urea,N-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]- supplier

Name
1-(2-FLUORO-6-(TRIFLOROMETHYL)BENZYL)UREA
EINECS
CAS No. 830346-46-8
Article Data15
CAS DataBase
Density 1.393 g/cm³
Solubility
Melting Point
Formula C₉H₈F₄N₂O
Boiling Point 268.828 °C at 760 mmHg
Molecular Weight 236.169
Flash Point 116.384 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Urea,[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]- (9CI);N-[2-Fluoro-6-(trifluoromethyl)benzyl]urea;
PSA 55.12000
LogP 3.10400

Urea,N-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]- Specification

The Urea,N-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-, with the CAS registry number 830346-46-8, is also known as (2-Fluoro-6-trifluoromethyl-benzyl)-urea. This chemical's molecular formula is C₉H₈F₄N₂O and molecular weight is 236.1662. What's more, its systematic name is called 1-[2-Fluoro-6-(trifluoromethyl)benzyl]urea.

Physical properties about Urea,N-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]- are: (1)ACD/LogP: 1.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 5; (6)ACD/BCF (pH 7.4): 5; (7)ACD/KOC (pH 5.5): 106; (8)ACD/KOC (pH 7.4): 106; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 55.12 Å²; (13)Index of Refraction: 1.477; (14)Molar Refractivity: 47.936 cm³; (15)Molar Volume: 169.584 cm³; (16)Surface Tension: 34.252 dyne/cm; (17)Density: 1.393 g/cm³; (18)Flash Point: 116.384 °C; (19)Enthalpy of Vaporization: 50.693 kJ/mol; (20)Boiling Point: 268.828 °C at 760 mmHg; (21)Vapour Pressure: 0.008 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1cccc(c1CNC(N)=O)C(F)(F)F
(2) InChI: InChI=1/C9H8F4N2O/c10-7-3-1-2-6(9(11,12)13)5(7)4-15-8(14)16/h1-3H,4H2,(H3,14,15,16)
(3) InChIKey: NLKRQVSNIXWLBR-UHFFFAOYAQ

Product Name

1-(2-FLUORO-6-(TRIFLOROMETHYL)BENZYL)UREA

Urea,N-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]- Specification

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