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Substance Name: 4-Methoxyphenylisothiocyanate
RN: 2284-20-0
InChIKey: VRPQCVLBOZOYCG-UHFFFAOYSA-N

Molecular Formula

  • C8-H7-N-O-S

Molecular Weight

  • 165.215
 
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Names and Synonyms

Name of Substance

  • 4-Methoxyphenylisothiocyanate

Synonyms

  • EINECS 218-921-3
  • NSC 77713

Systematic Name

  • p-Methoxyphenyl isothiocyanate

Registry Numbers

CAS Registry Number

  • 2284-20-0

System Generated Number

  • 0002284200

Structure Descriptors

InChI

1S/C8H7NOS/c1-10-8-4-2-7(3-5-8)9-6-11/h2-5H,1H3

InChIKey

VRPQCVLBOZOYCG-UHFFFAOYSA-N

Smiles

c1cc(OC)ccc1N=C=S

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 18 deg C   EXP
Boiling Point 280.5 deg C   EXP
log P (octanol-water) 3.58 (none)   EXP
Water Solubility 56.8 mg/L 25 EST
Vapor Pressure 8.41E-03 mm Hg 25 EST
Henry's Law Constant 4.62E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.44E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.