5-NITRO-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID

CAS

6345-55-7

Catalog Number

ACM6345557

Category

Other Products

Molecular Weight

223.21

Molecular Formula

C9H5NO4S

MSDS COA Spec Sheet

If you have any other questions or need other size, please get a quote.

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

Canonical 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

H-Bond Donor

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