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CAS Number: 2060-63-1
benzo[b]thiophene-5-carbonitrile

Structure

benzo[b]thiophene-5-carbonitrile
Name: benzo[b]thiophene-5-carbonitrile
Synonyms:
General Information
Product Number: 2060631
CAS Registry Number: 2060-63-1
Name:
        Benzo[b]​thiophene-​5-​carbonitrile
 
Chemical Formula: C9H5NS
Exact Mass: 159.01
Molecular Weight: 159.21
m/z: 159.01 (100.0%), 160.02 (9.8%), 161.01 (4.6%), 160.01 (1.2%)
Elemental Analysis: C, 67.90; H, 3.17; N, 8.80; S, 20.14
 
InChI: InChI=1S/C9H5NS/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-5H
InChIKey: IPJUOWGTGHKFKN-UHFFFAOYSA-N
Canonical SMILES : C1=CC2=C(C=CS2)C=C1C#N
 
Thermal Properties Value Condition Note
Boiling Point 130-140 °C Press: 7 Torr (1)CAS
Melting Point 73-74 °C   (1)CAS
Melting Point 67-69 °C   (3)CAS

Specification

98%

References
  1. (1) Mitra, R. B.; Journal of Scientific & Industrial Research 1956, V15B, P627-8 CAPLUS
  2. (2) Datta, Sumana; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) 1989, (3), P603-7 CAPLUS
  3. (3) D'Alo, F.; Bollettino Chimico Farmaceutico 1964, V103(10), P709-26 CAPLUS
  4. (4) AIST: Integrated Spectral Database System of Organic Compounds. (Data were obtained from the National Institute of Advanced Industrial Science and Technology (Japan))
  5. (5) Caddy, B.; Australian Journal of Chemistry 1968, V21(7), P1853-66 CAPLUS
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