Piperidine,1-[(5-bromo-2-methoxyphenyl)sulfonyl]- supplier

Name
1-(5-BROMO-2-METHOXYBENZENESULPHONYL)PIPERIDINE
EINECS
CAS No. 295360-83-7
Density 1.485 g/cm³
Solubility
Melting Point 95-99
Formula C₁₂H₁₆BrNO₃S
Boiling Point 448.9 °C at 760 mmHg
Molecular Weight 334.23
Flash Point 225.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 1-[(5-bromo-2-methoxyphenyl)sulfonyl]piperidine;1-[(5-Bromo-2-methoxyphenyl)sulfonyl]piperidine;piperidine, 1-[(5-bromo-2-methoxyphenyl)sulfonyl]-;
PSA 54.99000
LogP 3.65100

Piperidine,1-[(5-bromo-2-methoxyphenyl)sulfonyl]- Specification

The Piperidine,1-[(5-bromo-2-methoxyphenyl)sulfonyl]-, with the CAS registry number 295360-83-7, has the systematic name of 1-[(5-bromo-2-methoxyphenyl)sulfonyl]piperidine. It belongs to the following product categories: Blocks; Bromides; Heterocycles; Sulfonamides. And the molecular formula of the chemical is C₁₂H₁₆BrNO₃S.

The characteristics of Piperidine,1-[(5-bromo-2-methoxyphenyl)sulfonyl]- are as followings: (1)ACD/LogP: 3.67; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 54.99 Å²; (7)Index of Refraction: 1.577; (8)Molar Refractivity: 74.64 cm³; (9)Molar Volume: 224.9 cm³; (10)Polarizability: 29.59×10^-24cm³; (11)Surface Tension: 47.3 dyne/cm; (12)Density: 1.485 g/cm³; (13)Flash Point: 225.3 °C; (14)Enthalpy of Vaporization: 70.75 kJ/mol; (15)Boiling Point: 448.9 °C at 760 mmHg; (16)Vapour Pressure: 2.98E-08 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=S(=O)(c1cc(Br)ccc1OC)N2CCCCC2
(2)InChI: InChI=1/C12H16BrNO3S/c1-17-11-6-5-10(13)9-12(11)18(15,16)14-7-3-2-4-8-14/h5-6,9H,2-4,7-8H2,1H3
(3)InChIKey: JEBKVIMEQBQNPT-UHFFFAOYAK

Product Name

1-(5-BROMO-2-METHOXYBENZENESULPHONYL)PIPERIDINE

Piperidine,1-[(5-bromo-2-methoxyphenyl)sulfonyl]- Specification

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