5-Isothiocyanato-1,3-benzenedicarboxylic acid dimethyl ester

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Names

[ CAS No. ]:
72076-50-7

[ Name ]:
5-Isothiocyanato-1,3-benzenedicarboxylic acid dimethyl ester

[Synonym ]:
methyl 3-isothiocyanato-5-(methoxycarbonyl)benzoate
5-Isothiocyanato-isophthalic acid dimethyl ester
1,3-Benzenedicarboxylic acid,5-isothiocyanato-,dimethyl ester

Chemical & Physical Properties

[ Density]:
1.25g/cm3

[ Boiling Point ]:
399.9ºC at 760 mmHg

[ Molecular Formula ]:
C11H9NO4S

[ Molecular Weight ]:
251.25800

[ Flash Point ]:
195.7ºC

[ Exact Mass ]:
251.02500

[ PSA ]:
97.05000

[ LogP ]:
1.99410

[ Index of Refraction ]:
1.563

Safety Information

[ HS Code ]:
2930909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 3,5-DICARBOMETHOXYANILINE

DownStream

Customs

[ HS Code ]: 2930909090

[ Summary ]:
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Related Compounds

  • N-(2-(4-oxothieno[3,2-d]pyrimidin-3(4H)-yl)ethyl)-4-(trifluoromethoxy)benzenesulfonamide
  • N-(2-(4-oxothieno[3,2-d]pyrimidin-3(4H)-yl)ethyl)-3-(trifluoromethyl)benzenesulfonamide
  • N-(2-(4-oxothieno[3,2-d]pyrimidin-3(4H)-yl)ethyl)-2,3-dihydrobenzofuran-5-sulfonamide
  • 2-oxo-N-(2-{4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl}ethyl)-2,3-dihydro-1,3-benzoxazole-5-sulfonamide
  • 4-oxo-N-(2-(4-oxothieno[3,2-d]pyrimidin-3(4H)-yl)ethyl)-2,4,5,6-tetrahydro-1H-pyrrolo[3,2,1-ij]quinoline-8-sulfonamide
  • N-(2-(4-oxothieno[3,2-d]pyrimidin-3(4H)-yl)ethyl)morpholine-4-sulfonamide
  • 2-(3-(3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl)propanoyl)-3,4-dihydro-1H-dipyrido[1,2-a:4',3'-d]pyrimidin-11(2H)-one
  • 2-(5-oxo-1-(2-(thiophen-2-yl)ethyl)pyrrolidine-3-carbonyl)-3,4-dihydro-1H-dipyrido[1,2-a:4',3'-d]pyrimidin-11(2H)-one
  • 2-(2-(benzo[d]thiazol-2-ylthio)acetyl)-3,4-dihydro-1H-dipyrido[1,2-a:4',3'-d]pyrimidin-11(2H)-one
  • 2-(4-phenyltetrahydro-2H-pyran-4-carbonyl)-3,4-dihydro-1H-dipyrido[1,2-a:4',3'-d]pyrimidin-11(2H)-one
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