Isophthalonitrile | CAS No. 626-17-5

Isophthalonitrile

Basic Information

CAS Number

626-17-5

Molecular Formula

C8H4N2

Molecular Weight

17.03 g/mol

AD

Basic Physical Properties

Melting Point

160.0 to 164.0 deg-C

Boiling Point

288 ºC

Density

1.3

Water Solubility

0.7 g/L (20 ºC)

Flash Point

288°C

Solubility

0.7g/l

Refractive Index

1.6231 (estimate)

C1=CC(=CC(=C1)C#N)C#N

InChI

InChI=1S/C8H4N2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H

InChIKey

LAQPNDIUHRHNCV-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Ų

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

180

Safety Information

View Safety Information

GHS Hazard Pictograms

H302H302
H332H332

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H332 Harmful if inhaled
Acute toxicity, inhalation

Hazard Class

Class 6.1(b) Class 6.1(b)

Synonyms & References

English

  • Isophthalodinitrile
  • FT-0627453
  • Isoftalodinitril
  • m-Phthalodinitrile
  • CAS-626-17-5
  • CHEMBL3182143
  • UNII-7G36N0292W
  • 3-Cyanobenzonitrile
  • META-DICYANOBENZENE
  • AI3-25034
  • 1,3-DICYANOBENZENE
  • Tox21_303190
  • NCGC00259025-01
  • 1,3-Benzendikarbonitril
  • 7G36N0292W
  • J-503897
  • 1,3-BIS(CYANO)BENZENE
  • HSDB 5724
  • CCRIS 4132
  • DTXCID207259
  • Nitril kyseliny isoftalove [Czech]
  • I0158
  • Isoftalonitril [Czech]
  • Q20966059
  • NCGC00249051-01
  • A833886
  • Isophtalonitrile
  • Isoftalodinitril [Czech]
  • NSC 87880
  • NSC-87880
  • EN300-91717

MDL Number

MFCD00001795

Customs Code

29269020

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