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CAS Number: 20098-17-3
5-chloroadamantan-2-one

Structure

 5-chloroadamantan-2-one
Name: 5-chloroadamantan-2-one
Synonyms:
General Information
Product Number: 20098173

CAS Registry Number 20098-17-3
Name:
Tricyclo[3.3.1.13,?7]?decan-?2-?one, 5-?chloro-
2-Adamantanone, 5-chloro- (8CI)
Tricyclo[3.3.1.13,7]decanone, 5-chloro- (9CI)
(±)-5-Chloroadamantan-2-one
1-Chloro-4-adamantanone
1-Chloro-4-ketoadamantane

 

Chemical Formula: C10H13ClO
Exact Mass: 184.07
Molecular Weight: 184.66
m/z: 184.07 (100.0%), 186.06 (32.0%), 185.07 (11.0%), 187.07 (3.5%)

 

InChI:InChI=1S/C10H13ClO/c11-10-3-6-1-7(4-10)9(12)8(2-6)5-10/h6-8H,1-5H2

InChI Key:JPEOUSFBWXVGFX-UHFFFAOYSA-N

Canonical SMILES:C1C2CC3CC(C2)(CC1C3=O)Cl

 

Thermal Properties Value Condition Note
Melting Point 197-198 °C   (2)CAS
Melting Point 194.0-194.5 °C Solv: hexane (110-54-3) (4)IC
Melting Point See full text   (5)IC

Specification

98%
References
  1. (2) Dzhemilev, U. M.; RU 2197468 C2 2003 CAPLUS
  2. (4) Janku, Josef; Collection of Czechoslovak Chemical Communications 1987, V52(8), P2028-34 CAPLUS
  3. (5) Chung, Wen Sheng; Journal of the American Chemical Society 1990, V112(3), P1202-5 CAPLUS
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