Benzoic acid,3-isothiocyanato-

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Names

[ CAS No. ]:
2131-63-7

[ Name ]:
Benzoic acid,3-isothiocyanato-

[Synonym ]:
m-carboxyphenyl isothiocyanate
3-isothiocyanato-benzoic acid
3-Carboxy-phenylisothiocyanat
3-Isothiocyanato-benzoesaeure
3-Thiocarbonylamino-benzoesaeure
Benzoic acid,3-isothiocyanato
MFCD00041367
3-Carboxyphenyl isothiocyanate

Chemical & Physical Properties

[ Density]:
1.27g/cm3

[ Boiling Point ]:
381.2ºC at 760mmHg

[ Melting Point ]:
165 °C

[ Molecular Formula ]:
C8H5NO2S

[ Molecular Weight ]:
179.19600

[ Flash Point ]:
184.4ºC

[ Exact Mass ]:
179.00400

[ PSA ]:
81.75000

[ LogP ]:
2.11910

[ Vapour Pressure ]:
1.72E-06mmHg at 25°C

[ Index of Refraction ]:
1.612

Safety Information

[ Hazard Codes ]:
T+

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

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

[ RIDADR ]:
2811

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1

[ HS Code ]:
2930909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Carbon disulphide
  • 3-Aminobenzoic acid
  • N,N'-Thiocarbonyldiimidazole
  • Thiophosgene
  • Benzoic acid, 3,3'-(carbonothioyldiimino)bis
  • Hydrochloric acid

DownStream

  • 1-(3-Carboxyphenyl)-2-thiourea
  • 3-methoxycarbonylphenyl isothiocyanate
  • 3-(phenylcarbamothioylamino)benzoic acid

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

  • Benzoic acid,3-isothiocyanato-4-methoxy
  • Benzoic acid,3-isothiocyanato-4-methyl-(9CI)
  • Benzoic acid,3-isothiocyanato-5-(trifluoromethyl)-,ethyl ester
  • Benzoic acid, 3-isothiocyanato-4-methyl-, methyl ester (9CI)
  • Benzoic acid,3-chloro-, propyl ester
  • Benzoic acid,3,4,5-triethoxy-, 4-[(1-methyl-2-phenylethyl)propylamino]butyl ester,hydrochloride (1:1)
  • 1-(1,2-Dimethylpiperidin-4-yl)piperazine trihydrochloride
  • 5'-(Methoxy-11C)-N-methyl-3'-oxo-N-(2-(1-piperidyl)ethyl)spiro(cyclohexane-4,1'-isobenzofuran)-1-carboxamide
  • 6-(Aminomethyl)-2-methylpyridine-3-carboxylic acid dihydrochloride
  • 2-methyl-N-[2-(methylamino)ethyl]propanamide hydrochloride
  • 2-(4-Chloro-3-fluorophenyl)cyclopropan-1-amine hydrochloride
  • 2-[4-(Propan-2-yl)phenyl]piperidine hydrochloride
  • 2-Methyl-2-[(trimethylsilyl)oxy]propanamide
  • [1-(Pyridin-4-yl)cyclopropyl]methanamine dihydrochloride
  • 1-methanesulfonyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine hydrochloride
  • 1-ethyl-5-propyl-1H-1,2,3-triazol-4-amine
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