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CAS Number: 42472-69-5
1-(4-ethynylphenyl)ethanone

Structure

1-(4-ethynylphenyl)ethanone
Name: 1-(4-ethynylphenyl)ethanone
Synonyms:
General Information
Product Number: 42472695

CAS Registry Number 42472-69-5
Name:
Ethanone, 1-?(4-?ethynylphenyl)?-
Acetophenone, 4'-ethynyl- (6CI)
(4-Acetylphenyl)acetylene
(p-Acetylphenyl)acetylene
1-(4-Ethynylphenyl)ethanone
2-(4-Acetylphenyl)acetylene

 

Chemical Formula: C10H8O
Exact Mass: 144.06
Molecular Weight: 144.17
m/z: 144.06 (100.0%), 145.06 (10.9%)

 

InChI:InChI=1S/C10H8O/c1-3-9-4-6-10(7-5-9)8(2)11/h1,4-7H,2H3

InChI Key:WHFPFLKZXFBCSO-UHFFFAOYSA-N

Canonical SMILES:CC(=O)C1=CC=C(C=C1)C#C

 

Thermal Properties Value Condition Note
Melting Point 69-70 °C Solv: ethanol (64-17-5) (10)IC
Melting Point 68-70 °C   (5)CAS
Melting Point 68-70 °C   (7)CAS
Melting Point 68-69 °C Solv: chloroform (67-66-3) (8)CAS
Melting Point 67-68.5 °C   (11)IC
Melting Point 67 °C   (6)CAS
Melting Point 61 °C   (3)CAS

Specification

98%

References
  1. (3) Dash, Barada Prasanna; Inorganic Chemistry 2011, V50(12), P5485-5493 CAPLUS
  2. (5) Kabalka, George W.; ARKIVOC (Gainesville, FL, United States) [online computer file] 2001, (4), P5-11 CAPLUS
  3. (6) Yang, Jinhua; Chemistry of Materials 2004, V16(18), P3457-3468 CAPLUS
  4. (7) Kabalka, George W.; Tetrahedron 2006, V62(5), P857-867 CAPLUS
  5. (8) Beshai, Mira; Tetrahedron Letters 2008, V49(48), P6794-6796 CAPLUS
  6. (10) Takahashi, S.; Synthesis 1980, (8), P627-30 CAPLUS
  7. (11) Havens, Stephen J.; Journal of Organic Chemistry 1985, V50(10), P1763-5 CAPLUS
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