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118652-88-3

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Basic Information
CAS No.: 118652-88-3
Name: 3-BROMO-4-PIPERIDINONE HYDROBROMIDE
Article Data: 9
Molecular Structure:
Molecular Structure of 118652-88-3 (3-BROMO-4-PIPERIDINONE HYDROBROMIDE)
Formula: C5H8BrNO.HBr
Molecular Weight: 258.941
Synonyms: 4-Piperidinone,3-bromo-, hydrobromide (9CI);3-Bromopiperidin-4-one hydrobromide;
Melting Point: 200-201 °C
Boiling Point: 232.8 °C at 760 mmHg
Flash Point: 94.6 °C
PSA: 29.10000
LogP: 1.59920
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Chemistry

Molecular Structure of 4-Piperidinone,3-bromo-, hydrobromide (1:1) (CAS No.118652-88-3):
 
Molecular Formula: C5H9Br2NO
Molecular Weight: 258.9391
IUPAC Name: 3-Bromopiperidin-4-one hydrobromide
CAS No: 118652-88-3
H bond acceptors: 2
H bond donors: 1
Freely Rotating Bonds: 0
Polar Surface Area: 17.07 Å2
Flash Point: 94.6 °C
Enthalpy of Vaporization: 46.95 kJ/mol
Boiling Point: 232.8 °C at 760 mmHg
Vapour Pressure: 0.0578 mmHg at 25°C
InChI: InChI=1/C5H8BrNO.BrH/c6-4-3-7-2-1-5(4)8;/h4,7H,1-3H2;1H
InChIKey: OEXCMWXGWPQSDP-UHFFFAOYAS
Std. InChI: InChI=1S/C5H8BrNO.BrH/c6-4-3-7-2-1-5(4)8;/h4,7H,1-3H2;1H
Std. InChIKey: OEXCMWXGWPQSDP-UHFFFAOYSA-N

Specification

   4-Piperidinone,3-bromo-, hydrobromide (1:1) (CAS No.118652-88-3), it also can be called 3-Bromopiperidin-4-one hydrobromide (1:1) ; 3-Bromo-4-piperidinone hydrobromide .