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Home > Encyclopedia > 3,4,5-Trimethoxybenzonitrile

3,4,5-Trimethoxybenzonitrile

3,4,5-Trimethoxybenzonitrile structure

3,4,5-Trimethoxybenzonitrile 

structure
  • CAS No:

    1885-35-4

  • Formula:

    C10H11NO3

  • Chemical Name:

    3,4,5-Trimethoxybenzonitrile

  • Synonyms:

    Benzonitrile,3,4,5-trimethoxy-;3,4,5-Trimethoxybenzonitrile;3,4,5-Trimethoxybenzenecarbonitrile;NSC 408924

  • Categories:

    Flavors and Fragrances  >  Synthetic Fragrances

3,4,5-Trimethoxybenzonitrile Basic Attributes

193.2

193.20

217-550-4

GM6MN5DJ9R

408924

DTXSID70172203

Characteristics

51.5 Ų

1.2307

91 °C

180-185 °C/10 mmHg (lit.)

1.5300 (estimate)

Safety Information

III

6.1

3276

3

20/21/22-36/37/38-21/22

26-37/39-36/37

DI4965000

Xn,Xi

|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 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:193.20
XLogP3:1.2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:193.07389321
Monoisotopic Mass:193.07389321
Topological Polar Surface Area:51.5
Heavy Atom Count:14
Complexity:209
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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