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Molecular Structure of N-[2-(4-Bromophenoxy)ethyl]pyrrolidine (CAS No.1081-73-8):
Molecular Formula: C12H16BrNO
Molecular Weight: 270.1655
CAS No: 1081-73-8
IUPAC Name: 1-[2-(4-Bromophenoxy)ethyl]pyrrolidine
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 4
Polar Surface Area: 12.47 Å2
Index of Refraction: 1.56
Molar Refractivity: 65.28 cm3
Molar Volume: 201.929 cm3
Surface Tension: 41.418 dyne/cm
Density: 1.338 g/cm3
Flash Point: 163.31 °C
Enthalpy of Vaporization: 57.417 kJ/mol
Boiling Point: 331.495 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C
InChI: InChI=1/C12H16BrNO/c13-11-3-5-12(6-4-11)15-10-9-14-7-1-2-8-14/h3-6H,1-2,7-10H2
InChIKey: YDWKSSWZGXRQET-UHFFFAOYAK
Std. InChI: InChI=1S/C12H16BrNO/c13-11-3-5-12(6-4-11)15-10-9-14-7-1-2-8-14/h3-6H,1-2,7-10H2
Std. InChIKey: YDWKSSWZGXRQET-UHFFFAOYSA-N
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany: 3
N-[2-(4-Bromophenoxy)ethyl]pyrrolidine (CAS No.1081-73-8), its synonyms are 1-[2-(4-Bromophenoxy)ethyl]pyrrolidine ; Pyrrolidine, 1-[2-(4-bromophenoxy)ethyl]- ; Pyrrolidine, 1-[2-(p-bromophenoxy)ethyl]- ; 1-[2-(4-Bromo-phenoxy)-ethyl]-pyrrolidine ; 4-[2-Pyrrolidinoethoxy]phenyl bromide ; 4-Bromophenyl 2-(1-pyrrolidinyl)ethyl ether ; Bromophenoxyethylpyrrolidine ; N-(2-(p-bromophenoxy)ethyl)pyrrolidine