Urea,N-(4-bromophenyl)-N'-(3-chlorophenyl)- supplier

Name
1-(4-bromophenyl)-3-(3-chlorophenyl)urea
EINECS
CAS No. 13142-09-1
Article Data4
CAS DataBase
Density 1.644 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₀BrClN₂O
Boiling Point 332 °C at 760 mmHg
Molecular Weight 325.592
Flash Point 154.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms N-(4-Bromophenyl)-N'-(3-chlorophenyl)urea;
PSA 41.13000
LogP 4.89250

Urea,N-(4-bromophenyl)-N'-(3-chlorophenyl)- Specification

The Urea,N-(4-bromophenyl)-N'-(3-chlorophenyl)-, with the CAS registry number of 13142-09-1, is also known as N-(4-Bromophenyl)-N'-(3-chlorophenyl)urea. Its molecular formula is C₁₃H₁₀BrClN₂O and molecular weight is 325.592. What's more, its IUPAC name is 1-(4-Bromophenyl)-3-(3-chlorophenyl)urea.

Physical properties about the Urea,N-(4-bromophenyl)-N'-(3-chlorophenyl)- are: (1)ACD/LogP: 5.06; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.06; (4)ACD/LogD (pH 7.4): 5.06; (5)ACD/BCF (pH 5.5): 4103.49; (6)ACD/BCF (pH 7.4): 4103.13; (7)ACD/KOC (pH 5.5): 13424.19; (8)ACD/KOC (pH 7.4): 13423.03; (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: 1.713; (14)Molar Refractivity: 77.65 cm³; (15)Molar Volume: 197.9 cm³; (16)Surface Tension: 60.3 dyne/cm; (17)Density: 1.644 g/cm³; (18)Flash Point: 154.6 °C; (19)Enthalpy of Vaporization: 57.48 kJ/mol; (20)Boiling Point: 332 °C at 760 mmHg; (21)Vapour Pressure: 0.00015 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc2ccc(NC(=O)Nc1cccc(Cl)c1)cc2
(2) InChI: InChI=1/C13H10BrClN2O/c14-9-4-6-11(7-5-9)16-13(18)17-12-3-1-2-10(15)8-12/h1-8H,(H2,16,17,18)
(3) InChIKey: UKINRRRVXPZMRM-UHFFFAOYAU

Product Name

1-(4-bromophenyl)-3-(3-chlorophenyl)urea

Urea,N-(4-bromophenyl)-N'-(3-chlorophenyl)- Specification

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