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Home > Encyclopedia > 1,3-Benzenediacetonitrile

1,3-Benzenediacetonitrile

1,3-Benzenediacetonitrile structure

1,3-Benzenediacetonitrile 

structure
  • CAS No:

    626-22-2

  • Formula:

    C10H8N2

  • Chemical Name:

    1,3-Benzenediacetonitrile

  • Synonyms:

    1,3-Benzenediacetonitrile;m-Benzenediacetonitrile;m-Phenylenediacetonitrile;m-Bis(cyanomethyl)benzene;m-Phenylenebisacetonitrile;1,3-Phenylenediacetonitrile;NSC 77095;m-Xylylene dicyanide;1,3-Bis-(cyanomethyl)-benzene;2-[3-(Cyanomethyl)phenyl]acetonitrile

  • Categories:

    Specialty Chemicals

Description

WHITE ADHERING CRYSTALS

1,3-Benzenediacetonitrile Basic Attributes

156.18

156.18

3240670

210-936-3

P3W7U10SP7

77095

DTXSID10211645

29269095

Characteristics

47.6

0.68

Off-white solid.

1.1±0.1 g/cm3

27 °C

170 °C25 mm Hg(lit.)

>230 °F

1.550

H2O: insoluble

Store in a cool, dry place. Keep containers tightly closed.

Safety Information

III

6.1

3439

3

20/21/22-36/37/38

26-37/39-24/25-36

AM1780000

Xn

Stable under normal temperatures and pressures.

P261-P280-P305 + P351 + P338

H302 + H312 + H332-H315-H319-H335

|Danger|H301 (11.36%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:156.18
XLogP3:1.3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:156.068748264
Monoisotopic Mass:156.068748264
Topological Polar Surface Area:47.6
Heavy Atom Count:12
Complexity:203
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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