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CAS Number: 6346-05-0
5-nitrobenzo[b]thiophene-2-carboxylic acid

Structure

5-nitrobenzo[b]thiophene-2-carboxylic acid
Name: 5-nitrobenzo[b]thiophene-2-carboxylic acid
Synonyms:
General Information
Product Number: 6346050

CAS Registry Number 6345-55-7
Name:
Benzo[b]?thiophene-?2-?carboxylic acid, 5-?nitro-
5-Nitrobenzo[b]thiophene-2-carboxylic acid
5-Nitro-1-benzothiophene-2-carboxylic acid
5-Nitrobenzothiophene-2-carboxylic acid
NSC 43557

 

Chemical Formula: C9H5NO4S
Exact Mass: 222.99
Molecular Weight: 223.21
m/z: 222.99 (100.0%), 224.00 (9.9%), 224.99 (4.6%), 225.00 (1.3%), 223.99 (1.2%)

 

InChI:InChI=1S/C15H14O3/c1-17-14-8-7-13(10-16)9-15(14)18-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3

InChI Key:VQVQZFHUXRSRBZ-UHFFFAOYSA-N

Canonical SMILES:COC1=C(C=C(C=C1)C=O)OCC2=CC=CC=C2

 

Thermal Properties Value Condition Note
Boiling Point 140-150 °C   (1)CAS
Melting Point 79-80 °C   (15)CAS
Melting Point 65-66 °C   (16)IC
Melting Point 63.5-64 °C   (17)CAS
Melting Point 63.5 °C   (18)CAS
Melting Point 63.4 °C   (19)CAS
Melting Point 63-65 °C   (20)CAS
Melting Point 63-65 °C   (21)CAS
Melting Point 63 °C   (22)CAS
Melting Point 62-63 °C   (1)CAS

Specification

98%

References
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