CAS
21905-72-6 Purity
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21905-72-6 Purity
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4-Cinnolinecarboxylicacid
CAS
21905-86-2
Catalog Number
ACM21905862
Category
Other Products
Molecular Weight
174.16
Molecular Formula
C9H6 N2 O2
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Specification
Synonyms
4-Cinnolinecarboxylic acid, Cinnoline-4-carboxylic acid, NCIOpen2_000512, C82159_ALDRICH, NSC75570, AIDS125543, AIDS-125543, EINECS 244-650-5, NSC 75570, 21905-86-2
IUPAC Name
cinnoline-4-carboxylic acid
Canonical SMILES
C1=CC=C2C(=C1)C(=CN=N2)C(=O)O
InChI Key
ZKOMQFDQFTVPBZ-UHFFFAOYSA-N
Boiling Point
423.7ºC at 760mmHg
Melting Point
175ºC (dec.)(lit.)
Flash Point
210.1ºC
Density
1.421g/cm³
EC Number
244-650-5
Exact Mass
174.04300
H-Bond Acceptor
4
H-Bond Donor
1
Upstream Synthesis Route 1
- 80334-73-2
- 21905-86-2
Reference: [1] Tetrahedron, 1981, vol. 37, # 14, p. 2489 - 2492
[2] Patent: US4699651, 1987, A,
Upstream Synthesis Route 2
- 14722-38-4
- 21905-86-2
Reference: [1] Tetrahedron, 1981, vol. 37, # 14, p. 2489 - 2492
Upstream Synthesis Route 3
- 80334-73-2
- 21905-86-2
Reference: [1]Tetrahedron,1981,vol. 37,p. 2489 - 2492
[2]Patent: US4699651,1987,A
Downstream Synthesis Route 1
- 21905-86-2
- 253-66-7
Reference: [1] Journal of the American Chemical Society, 1946, vol. 68, p. 1310,1311
[2] Journal of the Chemical Society, 1951, p. 1971,1974
Downstream Synthesis Route 2
- 21905-86-2
- 253-66-7
Reference: [1]Journal of the American Chemical Society,1946,vol. 68,p. 1310,1311
* For details of the synthesis route, please refer to the original source to ensure accuracy.
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