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CAS Number: 63697-96-1
4-ethynylbenzaldehyde

Structure

4-ethynylbenzaldehyde
Name: 4-ethynylbenzaldehyde
Synonyms:
General Information
Product Number: 63697961
CAS Registry Number: 63697-96-1
Name:
        Benzaldehyde, 4-​ethynyl-
        4-​Ethynylbenzaldehyde; 4-​Formylphenylacetylen​e; p-​Ethynylbenzaldehyde 
        Deleted CAS Registry Numbers: 1416436-​49-​1
 
Chemical Formula: C9H6O
Exact Mass: 130.04
Molecular Weight: 130.14
m/z: 130.04 (100.0%), 131.05 (9.8%)
Elemental Analysis: C, 83.06; H, 4.65; O, 12.29
 
InChI: InChI=1S/C9H6O/c1-2-8-3-5-9(7-10)6-4-8/h1,3-7H
InChIKey: BGMHQBQFJYJLBP-UHFFFAOYSA-N
Canonical SMILES : C#CC1=CC=C(C=C1)C=O
 
Thermal Properties Value Condition Note
Melting Point 128 °C   (12)CAS
Melting Point 88-90 °C   (8)IC
Melting Point 87 °C   (13)CAS
Melting Point 59-60 °C   (2)CAS

Specification

98%

References
  1. (1) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
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  11. (11) Vicente, Maria Da Graca Henriques; US 20040106592 A1 2004 CAPLUS
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  13. (13) Wautelet, Pascale; Journal of Organic Chemistry 2003, V68(21), P8025-8036 CAPLUS
  14. (14) Klyatskaya, S. V.; Russian Chemical Bulletin (Translation of Izvestiya Akademii Nauk, Seriya Khimicheskaya) 2002, V51(1), P128-134 CAPLUS
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  16. (16) de Miguel, Gustavo; Journal of the American Chemical Society 2011, V133(33), P13036-13054 CAPLUS
  17. (17) Fazio, Michael A.; Organic Letters 2008, V10(21), P4979-4982 CAPLUS
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