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Home > Encyclopedia > 3-Picolylisothiocyanate

3-Picolylisothiocyanate

3-Picolylisothiocyanate structure

3-Picolylisothiocyanate 

structure
  • CAS No:

    36810-90-9

  • Formula:

    C7H6N2S

  • Chemical Name:

    3-Picolylisothiocyanate

  • Synonyms:

    Pyridine,3-(isothiocyanatomethyl)-;3-(Isothiocyanatomethyl)pyridine;3-Picolylisothiocyanate;3-Pyridylmethyl isothiocyanate

3-Picolylisothiocyanate Basic Attributes

231.11300

150.20

253-225-3

A1PWS1V11M

DTXSID50190288

2933399090

Characteristics

57.34000

2.64250

1.11g/cm3

90 °C @ Press: 3.5 Torr

122.4ºC

1.594

Safety Information

|Danger|H302 (66.67%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P285, P301+P312, P302+P352, P304+P312, P304+P340, P304+P341, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P337+P313, P342+P311, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 3 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:150.20
XLogP3:2.2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:150.02516937
Monoisotopic Mass:150.02516937
Topological Polar Surface Area:57.3
Heavy Atom Count:10
Complexity:141
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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