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CAS Number: 13752-40-4
9-ethynylanthracene

Structure

9-ethynylanthracene
Name: 9-ethynylanthracene
Synonyms:
General Information
Product Number: 13752404

CAS Registry Number 13752-40-4
Name:
Anthracene, 9-​ethynyl-
1-(9'-Anthracenyl)ethyne
9-Anthrylacetylene
9-Ethynylanthracene

 

Chemical Formula: C16H10
Exact Mass: 202.08
Molecular Weight: 202.25
m/z: 202.08 (100.0%), 203.08 (17.4%), 204.08 (1.4%)

 

InChI:InChI=1S/C16H10/c1-2-14-15-9-5-3-7-12(15)11-13-8-4-6-10-16(13)14/h1,3-11H

InChI Key:WSZBYXQREMPYLP-UHFFFAOYSA-N

Canonical SMILES:C#CC1=C2C=CC=CC2=CC3=CC=CC=C31

 

Thermal Properties Value Condition Note
Melting Point 75.5-76.0 °C   (6)IC
Melting Point 72.5-76 °C   (8)CAS
Melting Point 69 °C   (2)CAS
Melting Point 68-70 °C Solv: dichloromethane (75-09-2) (3)CAS

Specification

98%

References
  1. (2) Gutierrez-Arzaluz, Luis; Journal of Physical Chemistry B 2013, V117(40), P12175-12183 CAPLUS
  2. (3) Xiao, Qiang; Tetrahedron 2007, V63(17), P3483-3490 CAPLUS
  3. (6) House, Herbert O.; Journal of Organic Chemistry 1980, V45(10), P1807-17 CAPLUS
  4. (8) Michel, Rudolph H.; Journal of Polymer Science, Part A-1: Polymer Chemistry 1967, V5(4), P920-6 CAPLUS
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