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Home > Encyclopedia > 2-(Isothiocyanatomethyl)furan

2-(Isothiocyanatomethyl)furan

2-(Isothiocyanatomethyl)furan structure

2-(Isothiocyanatomethyl)furan 

structure
  • CAS No:

    4650-60-6

  • Formula:

    C6H5NOS

  • Chemical Name:

    2-(Isothiocyanatomethyl)furan

  • Synonyms:

    Furan,2-(isothiocyanatomethyl)-;Isothiocyanic acid,furfuryl ester;2-(Isothiocyanatomethyl)furan;2-Furfuryl isothiocyanate;Furfuryl isothiocyanate;2-Furylmethyl isothiocyanate;2-Furanylmethyl isothiocyanate

2-(Isothiocyanatomethyl)furan Basic Attributes

139.17500

139.18

225-079-0

2932190090

Characteristics

57.59000

1.88240

1.39

43-48 °C @ Press: 12 Torr

64-68°C/2mm

1.5655

Safety Information

III

8

2810

R20/21/22;R36/37/38

S26-S36/37/39

Xn:Harmful;

P260, P261, P264, P270, P271, P272, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P333+P313, P363, P405, P501

H302+H312+H332

|Danger|H302+H312+H332 (86.36%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P260, P261, P264, P270, P271, P272, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P333+P313, P363, 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:139.18
XLogP3:2.4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:139.00918496
Monoisotopic Mass:139.00918496
Topological Polar Surface Area:57.6
Heavy Atom Count:9
Complexity:131
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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