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CAS Number: 50870-61-6
2-bromocyclohex-2-enone

Structure

2-bromocyclohex-2-enone
Name: 2-bromocyclohex-2-enone
Synonyms:
General Information
Product Number: 50870616

CAS Registry Number 50870-61-6
Name:
2-?Cyclohexen-?1-?one, 2-?bromo-
2-Bromo-2-cyclohexen-1-one
2-Bromocyclohex-2-enone

 

Chemical Formula: C6H7BrO
Exact Mass: 173.97
Molecular Weight: 175.02
m/z: 173.97 (100.0%), 175.97 (97.7%), 174.97 (6.6%), 176.97 (6.4%)

 

InChI:InChI=1S/C6H7BrO/c7-5-3-1-2-4-6(5)8/h3H,1-2,4H2

InChI Key:KYNHSQQWQIIFTG-UHFFFAOYSA-N

Canonical SMILES;C1CC=C(C(=O)C1)Br

 

Thermal Properties Value Condition Note
Melting Point 75-76 °C   (15)IC
Melting Point 75-76 °C Solv: ethyl acetate (141-78-6); hexane (110-54-3) (12)IC
Melting Point 74-76 °C   (11)IC
Melting Point 72.5-75 °C   (16)IC
Melting Point 66-71 °C   (9)IC
Melting Point 53-55 °C   (10)IC

Specification

98%

References
  1. (9) Ponaras, A. A.; Journal of Organic Chemistry 1986, V51(24), P4741-3 CAPLUS
  2. (10) Kozlov, N. S.; Vestsi Akademii Navuk BSSR, Seryya Khimichnykh Navuk 1986, (3), P115-17 CAPLUS
  3. (11) Mandal, Arun K.; Tetrahedron 1988, V44(8), P2293-9 CAPLUS
  4. (12) Kowalski, Conrad J.; Journal of Organic Chemistry 1982, V47(26), P5088-93 CAPLUS
  5. (15) Ley, Steven V.; Tetrahedron Letters 1981, V22(34), P3301-4 CAPLUS
  6. (16) Shih, Chaun; Journal of Organic Chemistry 1980, V45(22), P4462-71 CAPLUS
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