3,4-Methylenedioxyphenyl isothiocyanate

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Names

[ CAS No. ]:
113504-93-1

[ Name ]:
3,4-Methylenedioxyphenyl isothiocyanate

[Synonym ]:
MFCD00066321
5-isothiocyanato-1,3-benzodioxole

Chemical & Physical Properties

[ Density]:
1.37 g/cm3

[ Boiling Point ]:
311.2ºC at 760 mmHg

[ Melting Point ]:
57ºC

[ Molecular Formula ]:
C8H5NO2S

[ Molecular Weight ]:
179.19600

[ Flash Point ]:
142ºC

[ Exact Mass ]:
179.00400

[ PSA ]:
62.91000

[ LogP ]:
2.14960

[ Vapour Pressure ]:
0.00104mmHg at 25°C

[ Index of Refraction ]:
1.646

[ Storage condition ]:
Keep cold

MSDS

Click to get detail MSDS

Safety Information

[ Hazard Codes ]:
T: Toxic;Xi: Irritant;

[ Risk Phrases ]:
R20/21/22

[ Safety Phrases ]:
26-36/37/39

[ RIDADR ]:
UN 2811

[ HS Code ]:
2932999099

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Thiophosgene
  • Benzo[d][1,3]dioxol-5-amine hydrochloride

DownStream

  • 1-(3,4-DIMETHYLPHENYL)-1H-PYRROLE-2,5-DIONE

Customs

[ HS Code ]: 2932999099

[ Summary ]:
2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Related Compounds

  • 3,4-methylenedioxyphenyl triflate
  • (3,4-methylenedioxyphenyl)methyl trichloroacetimidate
  • 3,4-methylenedioxyphenyl propargyl ether
  • 3,4-Methylenedioxyphenyl ethyl ketone
  • 3,4-methylenedioxyphenyl mesylate
  • bromo(3,4-methylenedioxyphenyl)-acetic acid methyl ester
  • 3-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)-N-(15-hydrazinyl-15-oxo-3,6,9,12-tetraoxapentadecyl)propanamide
  • Tert-butyl 4-(benzylthio)-2-bromo-3-formylbenzoate
  • 3-Bromo-1-(cyclopropylmethyl)-5,6,7,8-tetrahydroquinolin-2(1h)-one
  • 2-Isopropyl-6-methoxy-1H-indole
  • 5-(5-Bromopyridin-3-yl)-3-(pyridin-3-yl)-1,2,4-oxadiazole
  • 1-(3-(3-(Pyridin-3-yl)-1,2,4-oxadiazol-5-yl)phenyl)ethanone
  • 2-(3,5-Dimethoxy-4-methylphenoxy)acetic acid
  • 6-Methyl-4,6-dihydrothieno[2,3-c]furan
  • 3-(Dimethylamino)-1-(pyrimidin-4-yl)prop-2-en-1-one
  • (R)-(7-Benzyl-4,7-diazaspiro[2.5]octan-6-yl)methanol
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