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CAS Number: 34433-86-8
3-bromopiperidin-2-one

Structure

 3-bromopiperidin-2-one
Name: 3-bromopiperidin-2-one
Synonyms:
General Information
Product Number: 34433868

CAS Registry Number 34433-86-8
Name:
2-?Piperidinone, 3-?bromo-
2-Piperidone, 3-bromo- (6CI,7CI,8CI)
3-Bromo-2-piperidone
3-Bromopiperidin-2-one
α-Bromovalerolactam

 

Chemical Formula: C5H8BrNO
Exact Mass: 176.98
Molecular Weight: 178.03
m/z: 176.98 (100.0%), 178.98 (97.5%), 177.98 (5.8%), 179.98 (5.4%)

 

InChI:InChI=1S/C5H8BrNO/c6-4-2-1-3-7-5(4)8/h4H,1-3H2,(H,7,8)

InChI Key:CJFHQJDFNSXAOC-UHFFFAOYSA-N

Canonical SMILES:C1CC(C(=O)NC1)Br

 

Thermal Properties Value Condition Note
Melting Point 147 °C Solv: acetone (67-64-1) (3)CAS
Melting Point 147 °C Solv: acetone (67-64-1) (4)CAS
Melting Point 123-125 °C   (1)CAS
Melting Point 114-117 °C   (5)CAS

Specification

98%
References
  1. (1) Simon, Luis; Helvetica Chimica Acta 2005, V88(7), P1682-1701 CAPLUS
  2. (3) Takahashi, Torizo; Yakugaku Zasshi 1958, V78, P1306-7 CAPLUS
  3. (4) Kariyone, Kazuo; JP 37006835 B4 1962 CAPLUS
  4. (5) Kamal, Ahmed; Tetrahedron: Asymmetry 2003, V14(17), P2587-2594 CAPLUS
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