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Pimelonitrile

Pimelonitrile structure

Pimelonitrile 

structure
  • CAS No:

    646-20-8

  • Formula:

    C7H10N2

  • Chemical Name:

    Pimelonitrile

  • Synonyms:

    Heptanedinitrile;Pimelonitrile;Pimelic acid dinitrile;1,5-Dicyanopentane;NSC 5392;1,7-Heptanedinitrile

  • Categories:

    Chemical Reagents  >  Organic Reagents

Description

CLEAR COLOURLESS LIQUID

Pimelonitrile Basic Attributes

122.17

122.17

211-469-8

3D5H23A27Q

5392

DTXSID3060952

2926909090

Characteristics

47.6

-0.06

0.95070 g/cm3 @ Temp: 15 °C

-31.4 °C

155 °C

112 °C

1.437

Store below +30°C.

Oral-Rat  LDL0: 500 mg/kg; Oral-Mouse  LD50: 126 mg/kg

Open flame is flammable; high heat decomposes toxic nitrogen oxide and cyanide gas

Safety Information

III

6.1(b)

UN 3276 6.1/PG 3

3

20/21/22

36/37-24/25

MI9020000

Xn

The warehouse is ventilated at low temperature and dry; stored separately from oxidants, acids and food additives

P280-P301 + P310

H301-H312-H332

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P312, P304+P340, P312, P321, P322, P330, P363, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

highly toxic

Pimelonitrile Use and Manufacturing

Heptanedinitrile: INACTIVE

Computed Properties

Molecular Weight:122.17
XLogP3:0.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:122.084398327
Monoisotopic Mass:122.084398327
Topological Polar Surface Area:47.6
Heavy Atom Count:9
Complexity:125
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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