4-(4-Benzyl-1-piperazino)-3-bromo-benzaldehyde supplier

Name
4-(4-Benzyl-1-piperazino)-3-bromo-benzaldehyde
EINECS
CAS No. 443777-04-6
Density 1.387 g/cm³
Solubility
Melting Point
Formula C₁₈H₁₉BrN₂O
Boiling Point 481.5 ºC at 760 mmHg
Molecular Weight 359.2603
Flash Point 245 ºC
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 4-(4-Benzylpiperazin-1-yl)-3-bromo-benzaldehyde;
PSA 23.55000
LogP 3.58670

4-(4-Benzyl-1-piperazino)-3-bromo-benzaldehyde Specification

The 4-(4-Benzyl-1-piperazino)-3-bromo-benzaldehyde, with the CAS registry number 443777-04-6, is also known as 4-(4-Benzylpiperazin-1-yl)-3-bromobenzaldehyde. This chemical's molecular formula is C₁₈H₁₉BrN₂O and molecular weight is 359.26. What's more, its systematic name is called 4-(4-Benzylpiperazin-1-yl)-3-bromo-benzaldehyde. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about 4-(4-Benzyl-1-piperazino)-3-bromo-benzaldehyde are: (1)ACD/LogP: 4.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.57; (4)ACD/LogD (pH 7.4): 4.01; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 23.55 Å²; (9)Index of Refraction: 1.643; (10)Molar Refractivity: 93.63 cm³; (11)Molar Volume: 258.9 cm³; (12)Surface Tension: 53.1 dyne/cm; (13)Density: 1.387 g/cm³; (14)Flash Point: 245 °C; (15)Enthalpy of Vaporization: 74.62 kJ/mol; (16)Boiling Point: 481.5 °C at 760 mmHg; (17)Vapour Pressure: 1.98E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc3ccc(N2CCN(Cc1ccccc1)CC2)c(Br)c3
(2) InChI: InChI=1/C18H19BrN2O/c19-17-12-16(14-22)6-7-18(17)21-10-8-20(9-11-21)13-15-4-2-1-3-5-15/h1-7,12,14H,8-11,13H2
(3) InChIKey: RJQOEOHVLBKVHV-UHFFFAOYAU

Product Name

4-(4-Benzyl-1-piperazino)-3-bromo-benzaldehyde

4-(4-Benzyl-1-piperazino)-3-bromo-benzaldehyde Specification

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