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Home > Encyclopedia > 1-BENZOTHIOPHENE-5-CARBONITRILE

1-BENZOTHIOPHENE-5-CARBONITRILE

1-BENZOTHIOPHENE-5-CARBONITRILE structure

1-BENZOTHIOPHENE-5-CARBONITRILE 

structure
  • CAS No:

    2060-63-1

  • Formula:

    C9H5NS

  • Chemical Name:

    1-BENZOTHIOPHENE-5-CARBONITRILE

  • Synonyms:

    1-BENZOTHIOPHENE-5-CARBONITRILE;benzo[b]thiophene-5-carbonitrile;5-cyanobenzothiophene;PubChem9722;5-Thionaphthenecarbonitrile;SCHEMBL574252;Benzo[]thiophene-5-carbonitrile;CTK4E4655;KS-00001BGW;DTXSID30383676

  • Categories:

    Chemical Reagents  >  Organic Reagents

1-BENZOTHIOPHENE-5-CARBONITRILE Basic Attributes

159.21

159.014267

DTXSID30383676

2934999090

Characteristics

52.03000

3.82

1.3±0.1 g/cm3

69 °C

312.7±15.0 °C at 760 mmHg

142.9±20.4 °C

1.680

Safety Information

20/21/22-36/37/38

22-26-36/37/39

Xn

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:159.21
XLogP3:2.8
Hydrogen Bond Acceptor Count:2
Exact Mass:159.01427034
Monoisotopic Mass:159.01427034
Topological Polar Surface Area:52
Heavy Atom Count:11
Complexity:193
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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