CAS
63453-81-6 Purity
96%
63453-81-6 Purity
96%
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5-NITRO-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID
CAS
6345-55-7
Catalog Number
ACM6345557
Category
Other Products
Molecular Weight
223.21
Molecular Formula
C9H5NO4S
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Specification
Synonyms
NSC43557, BAS 00763525, 5-nitro-1-benzothiophene-2-carboxylic acid, 5-Nitro-benzo[b]thiophene-2-carboxylic acid, 1W-0255, SR-01000634144-1, 6345-55-7
IUPAC Name
5-nitro-1-benzothiophene-2-carboxylic acid
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])C=C(S2)C(=O)O
InChI Key
ZGSMHACHDULBBY-UHFFFAOYSA-N
Boiling Point
473.6ºC at 760 mmHg
Melting Point
239-241ºC
Flash Point
240.2ºC
Density
1.624 g/cm³
Exact Mass
222.99400
Hazard Statements
Xi:Irritant;
H-Bond Acceptor
4
H-Bond Donor
1
Safety Description
S26-S37/39
Upstream Synthesis Route 1
- 20699-86-9
- 6345-55-7
Reference: [1]Heterocycles,2008,vol. 75,p. 1913 - 1929
Downstream Synthesis Route 1
- 6345-55-7
- 20532-28-9
Reference: [1] Synthetic Communications, 1991, vol. 21, # 7, p. 959 - 964
[2] Justus Liebigs Annalen der Chemie, 1937, vol. 527, p. 83,101
Downstream Synthesis Route 2
- 6345-55-7
- 19301-35-0
Reference: [1] Synthetic Communications, 1991, vol. 21, # 7, p. 959 - 964
[2] Justus Liebigs Annalen der Chemie, 1937, vol. 527, p. 83,101
[3] Journal of the American Chemical Society, 1956, vol. 78, p. 5351,5354
[4] Journal of the American Chemical Society, 1956, vol. 78, p. 5351,5354
Downstream Synthesis Route 3
- 6345-55-7
- 4965-26-8
Reference: [1] Bioorganic and Medicinal Chemistry, 2016, vol. 24, # 3, p. 403 - 427
Downstream Synthesis Route 4
- 123-75-1
- 6345-55-7
- 96248-69-0
Reference: [1]Journal of Medicinal Chemistry,2006,vol. 49,p. 7108 - 7118
Downstream Synthesis Route 5
- 110-89-4
- 6345-55-7
- 97528-67-1
Reference: [1]Journal of Medicinal Chemistry,2006,vol. 49,p. 7108 - 7118
[2]ACS Medicinal Chemistry Letters,2015,vol. 6,p. 1010 - 1014
* For details of the synthesis route, please refer to the original source to ensure accuracy.
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