Benzaldehyde,2-(1-piperazinyl)- supplier

Name
2-PIPERAZIN-1-YL-BENZALDEHYDE
EINECS
CAS No. 736991-52-9
Article Data6
CAS DataBase
Density 1.123 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₄N₂O
Boiling Point 355 °C at 760 mmHg
Molecular Weight 190.245
Flash Point 168.5 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 2-(Piperazin-1-yl)benzaldehyde;benzaldehyde, 2-(1-piperazinyl)-;
PSA 32.34000
LogP 1.30250

Benzaldehyde,2-(1-piperazinyl)- Specification

The Benzaldehyde,2-(1-piperazinyl)-, with the CAS registry number 736991-52-9, has the systematic name of 2-(piperazin-1-yl)benzaldehyde. It belongs to the product categories of Piperidine and API intermediates. And the molecular formula of the chemical is C₁₁H₁₄N₂O.

The characteristics of Benzaldehyde,2-(1-piperazinyl)- are as followings: (1)ACD/LogP: 0.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.2; (4)ACD/LogD (pH 7.4): -0.58; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 3.58; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 23.55 Å²; (13)Index of Refraction: 1.582; (14)Molar Refractivity: 56.55 cm³; (15)Molar Volume: 169.4 cm³; (16)Polarizability: 22.42×10^-24cm³; (17)Surface Tension: 43.9 dyne/cm; (18)Density: 1.123 g/cm³; (19)Flash Point: 168.5 °C; (20)Enthalpy of Vaporization: 60.01 kJ/mol; (21)Boiling Point: 355 °C at 760 mmHg; (22)Vapour Pressure: 3.23E-05 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=Cc1ccccc1N2CCNCC2
(2)InChI: InChI=1/C11H14N2O/c14-9-10-3-1-2-4-11(10)13-7-5-12-6-8-13/h1-4,9,12H,5-8H2
(3)InChIKey: NITSFGVLNGNYOS-UHFFFAOYAQ

Product Name

2-PIPERAZIN-1-YL-BENZALDEHYDE

Benzaldehyde,2-(1-piperazinyl)- Specification

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