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 | 
		 
	
 
 
 
 
 
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