Structure

Benzaldehyde,4-ethynyl-

CAS
63697-96-1
Catalog Number
ACM63697961
Category
Other Products
Molecular Weight
130.14
Molecular Formula
C9H6 O

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Specification

Synonyms
4-Ethynylbenzaldehyde, 63697-96-1, SBB064928, AG-G-36899, 4-ethynyl-benzaldehyde, AC1MCK9N, ACMC-209x0m, 597430_ALDRICH, CTK3J3295, BENZALDEHYDE, 4-ETHYNYL-, MolPort-001-756-418, ACT01183, ANW-47060, ZINC02548316, AKOS005216979, AB22364, GL-0051, MCULE-2656318057, AK-51699, BR-51699
IUPAC Name
4-ethynylbenzaldehyde
SMILES
C#CC1=CC=C(C=C1)C=O
InChI Key
BGMHQBQFJYJLBP-UHFFFAOYSA-N
Boiling Point
223.8ºC at 760 mmHg
Melting Point
89-93ºC(lit.)
Flash Point
86.8ºC
Density
1.07 g/cm³
Exact Mass
130.04200
Hazard Statements
Xi
H-Bond Acceptor
1
H-Bond Donor
0
Safety Description
22-26-36

Downstream Synthesis Route 1

  • 63697-96-1
  • 1791-26-0
  • 4748-78-1

Reference: [1] Angewandte Chemie - International Edition, 2013, vol. 52, # 5, p. 1481 - 1485
[2] Chemistry - A European Journal, 2017, vol. 23, # 25, p. 6019 - 6028

Downstream Synthesis Route 2

  • 63697-96-1
  • 4748-78-1

Reference: [1] Journal of the American Chemical Society, 2011, vol. 133, # 42, p. 17037 - 17044
[2] Chemistry - A European Journal, 2017, vol. 23, # 25, p. 6019 - 6028

Downstream Synthesis Route 3

  • 63697-96-1
  • 768-59-2
  • 4748-78-1

Reference: [1] Chemistry - A European Journal, 2017, vol. 23, # 25, p. 6019 - 6028

Downstream Synthesis Route 4

  • 69518-17-8
  • 63697-96-1
  • 254902-82-4

Reference: [1]Journal of Organic Chemistry,1999,vol. 64,p. 9090 - 9100

* For details of the synthesis route, please refer to the original source to ensure accuracy.

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