Benzoic acid,4-isothiocyanato-, ethyl ester

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Names

[ CAS No. ]:
1205-06-7

[ Name ]:
Benzoic acid,4-isothiocyanato-, ethyl ester

[Synonym ]:
4-Isothiocyanato-Benzoic Acid Ethyl Ester
4-ETHOXYCARBONYLPHENYL-ISOTHIOCYANATE
ethyl p-isothiocyanatobenzoate
p-ethoxycarbonylphenyl isothiocyanate
4-carbethoxyphenyl isothiocyanate
4-carboethoxy-phenylisothiocyanate
EINECS 214-880-0
MFCD00022058
4-Isothiocyanatobenzoesaeure-ethylester
Benzoic acid,4-isothiocyanato-,ethyl ester

Chemical & Physical Properties

[ Density]:
1.14 g/cm3

[ Boiling Point ]:
123-127°C 1mm

[ Melting Point ]:
57 °C

[ Molecular Formula ]:
C10H9NO2S

[ Molecular Weight ]:
207.24900

[ Flash Point ]:
123-127°C/1mm

[ Exact Mass ]:
207.03500

[ PSA ]:
70.75000

[ LogP ]:
2.59760

[ Vapour Pressure ]:
0.000201mmHg at 25°C

[ Index of Refraction ]:
1.558

Safety Information

[ Hazard Codes ]:
C,T,Xi

[ Risk Phrases ]:
R20/21/22;R36/37/38

[ Safety Phrases ]:
S26-S36/37/39

[ RIDADR ]:
2811

[ Packaging Group ]:
II

[ Hazard Class ]:
6.1

[ HS Code ]:
2930909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Thiophosgene
  • Benzocaine
  • Bis(1-benzotriazolyl)methanethione
  • Triphosgene
  • O,O-Di-2-pyridinyl carbonothioate
  • 4-Aminobenzoic acid

DownStream

  • Benzoic acid,4,4'-(carbonothioyldiimino)bis-, diethyl ester (9CI)
  • ethyl 4-(ethylthiocarbamoylamino)benzoate
  • ethyl 4-(aminocarbamothioylamino)benzoate
  • Benzoic acid,4-[(aminothioxomethyl)amino]-, ethyl ester
  • ethyl 4-(1,3-thiazol-2-ylthiocarbamoylamino)benzoate

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

  • 4-Ethoxycarbonyl-2-fluorophenylisothiocyanate
  • 4-Ethoxycarbonyl-2-chlorophenylisothiocyanate
  • Methyl 4-(isothiocyanatomethyl)benzoate
  • Benzoic acid,4-(formylamino)-, ethyl ester
  • Benzoic acid,4-(methylsulfonyl)-, ethyl ester
  • Benzoic acid,4-(nonylamino)-, ethyl ester
  • 6-[4-[2-[3-(4-Fluorophenyl)-6-oxopyridazin-1-yl]acetyl]piperazin-1-yl]-3-methyl-1,3-diazinane-2,4-dione
  • 6-Phenyl-5-[4-(2-pyridin-3-ylacetyl)piperazin-1-yl]diazinan-3-one
  • 6-Ethyl-5-fluoro-2-[5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1,3-diazinan-4-one
  • 2-(4-cyclohexyl-2,3-dioxopiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
  • 5-[4-(5-Fluoropyridine-3-carbonyl)piperazin-1-yl]-6-phenyldiazinan-3-one
  • 5-fluoro-6-methyl-2-[5-(quinoxaline-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-5H-pyrimidin-4-one
  • 5-Fluoro-6-methyl-2-[5-(7-methylpurin-6-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1,3-diazinan-4-one
  • 1-(1-tert-butyl-1H-pyrazol-4-yl)ethane-1,2-diol
  • 5-[4-(5-Fluoro-4-methylpyridine-2-carbonyl)piperazin-1-yl]-6-phenyldiazinan-3-one
  • 5-Fluoro-2-[4-(2-phenyltriazole-4-carbonyl)piperazin-1-yl]-6-propan-2-yl-1,3-diazinan-4-one
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