methyl 2-isothiocyanatobenzoate

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Names

[ CAS No. ]:
16024-82-1

[ Name ]:
methyl 2-isothiocyanatobenzoate

[Synonym ]:
2-isothiocyanato-benzoic acid methyl ester
EINECS 240-164-2
MFCD00041062
Methyl 2-isothiocyanatobenzoate
methyl 2-isothiocyanatobenzenecarboxylate
2-Isothiocyanatobenzoic Acid Methyl Ester
methyl2-isothiocyanatobenzoate

Chemical & Physical Properties

[ Density]:
1.25

[ Boiling Point ]:
150 °C

[ Melting Point ]:
25°C

[ Molecular Formula ]:
C9H7NO2S

[ Molecular Weight ]:
193.22200

[ Flash Point ]:
126 °C

[ Exact Mass ]:
193.02000

[ PSA ]:
70.75000

[ LogP ]:
2.20750

[ Vapour Pressure ]:
0.000321mmHg at 25°C

[ Index of Refraction ]:
1.5354-1.5374

MSDS

Click to get detail MSDS

Safety Information

[ Hazard Codes ]:
Xn,Xi

[ Risk Phrases ]:
R36/38

[ Safety Phrases ]:
S37/39-S26

[ RIDADR ]:
2810

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Thiophosgene
  • Methyl 2-aminobenzoate

DownStream

  • 3-PHENYL-2-THIOXO-1,2,3,4-TETRAHYDROQUINAZOLIN-4-ONE
  • 3-(4-NITRO-PHENYL)-2-THIOXO-2,3-DIHYDRO-1H-QUINAZOLIN-4-ONE
  • methyl 2-(dimethylaminocarbamothioylamino)benzoate
  • Methyl 2-aminobenzoate
  • 2-morpholin-4-yl-1H-quinazolin-4-one
  • 3,10-dihydro-2H-imidazo[2,1-b]quinazolin-5-one
  • 2-mercapto-4(3h)-quinazolinone
  • 3-Benzyl-2-mercapto-3H-quinazolin-4-one
  • 3-(4-Fluorophenyl)-2-thioxo-2,3-dihydro-4(1H)-quinazolinone
  • 4(1H)-Quinazolinone,3-butyl-2,3-dihydro-2-thioxo-

Related Compounds

  • methyl 5-bromo-2-isothiocyanatobenzoate
  • Methyl 2-(2-chlorophenyl)-2-(4,5-dihydrothieno[2,3-c]pyridin-6(7H)-yl)acetate
  • methyl 2-[(3-fluorobenzoyl)amino]benzoate
  • Methyl 2-Boc-aminothiazole-4-carboxylate
  • Methyl 2-Aminopyrimidine-5-carboxylate
  • Methyl 2-(1-piperidinylmethyl)benzoate
  • (1-(tetrahydro-2H-pyran-4-yl)pyrrolidin-2-yl)methanol
  • (4-(Benzylamino)pyridin-3-yl)methanol
  • N,N-Diethyl-6-methyl-3-nitro-2-pyridinamine
  • 3-Methyl-2-(pyrrolidin-3-yloxy)pyridine
  • 1-(1,3-dimethyl-1H-pyrazole-5-carbonyl)piperidin-4-amine
  • 2a,3,4,8b-tetrahydro-4,4-dimethyl-Naphth[1,2-b]azet-2(1H)-one (ACI)
  • 4-(4-Bromophenyl)-3-methylazetidin-2-one
  • 5-[(4-aminopyridin-3-yl)methylamino]-2-butyl-3H-isoindol-1-one
  • 2-Ethenyl-2,3-dihydro-1H-isoindol-1-one
  • N1-(4-nitrobenzoyl)-2,6-dimethylpiperazine
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