Product
Supplier
Encyclopedia
Inquiry
Home > Encyclopedia > 3,4-Methylenedioxyphenyl isothiocyanate

3,4-Methylenedioxyphenyl isothiocyanate

3,4-Methylenedioxyphenyl isothiocyanate structure

3,4-Methylenedioxyphenyl isothiocyanate 

structure
  • CAS No:

    113504-93-1

  • Formula:

    C8H5NO2S

  • Chemical Name:

    3,4-Methylenedioxyphenyl isothiocyanate

  • Synonyms:

    5-isothiocyanato-1,3-benzodioxole;

3,4-Methylenedioxyphenyl isothiocyanate Basic Attributes

179.19600

179.00409958 g/mol

DTXSID40150432

2932999099

Characteristics

62.91000

2.14960

1.37 g/cm3

57ºC

311.2ºC at 760 mmHg

142ºC

1.646

Keep cold

0.00104mmHg at 25°C

Safety Information

UN 2811

R20/21/22

S26; S36/37/39

T; Xi

Computed Properties

Molecular Weight:179.20
XLogP3:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:179.00409958
Monoisotopic Mass:179.00409958
Topological Polar Surface Area:62.9
Heavy Atom Count:12
Complexity:215
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Scan the QR Code to Share

Feedback & Suggestions
Send Message

Thank you for your feedback. If you require further assistance, please contact us by email at info@echemi.com or call us at +86-532-55729510.