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Home > Encyclopedia > 5-Cyano-1,3-benzenedicarboxylic acid

5-Cyano-1,3-benzenedicarboxylic acid

5-Cyano-1,3-benzenedicarboxylic acid structure

5-Cyano-1,3-benzenedicarboxylic acid 

structure
  • CAS No:

    23341-13-1

  • Formula:

    C9H5NO4

  • Chemical Name:

    5-Cyano-1,3-benzenedicarboxylic acid

  • Synonyms:

    1,3-Benzenedicarboxylic acid,5-cyano-;Isophthalic acid,5-cyano-;5-Cyano-1,3-benzenedicarboxylic acid;5-Cyanoisophthalic acid;5-Cyanobenzene-1,3-dicarboxylic acid

5-Cyano-1,3-benzenedicarboxylic acid Basic Attributes

191.1403

191.14

245-594-4

DTXSID5066879

2926909090

Characteristics

98.4

0.95468

1.57g/cm3

330 °C

454.6ºC at 760 mmHg

228.7ºC

1.64

4.69E-09mmHg at 25°C

Safety Information

NONH for all modes of transport

3

36/37/38

26

Xi

P261-P305 + P351 + P338

H315-H319-H335

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

5-Cyano-1,3-benzenedicarboxylic acid Use and Manufacturing

1,3-Benzenedicarboxylic acid, 5-cyano-: INACTIVE

Computed Properties

Molecular Weight:191.14
XLogP3:0.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:191.02185764
Monoisotopic Mass:191.02185764
Topological Polar Surface Area:98.4
Heavy Atom Count:14
Complexity:281
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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