ChemicalBook Product Catalog Chemical Reagents Organic reagents Thiocyanate / isothiocyanate 3-NITROPHENYL ISOTHIOCYANATE

3-NITROPHENYL ISOTHIOCYANATE

3-NITROPHENYL ISOTHIOCYANATE Basic information
Product Name:3-NITROPHENYL ISOTHIOCYANATE
Synonyms:1-isothiocyanato-3-nitro-benzen;1-isothiocyanato-3-nitrobenzene;isothiocyanicacid,m-nitrophenylester;3-Nitrophenyl isothiocyanate 98%;M-NITROPHENYL ISOTHIOCYANATE;3-NITROPHENYL ISOTHIOCYANATE;3-NitrophenyL;3-Nitrophenyl isothiocyate, 98%
CAS:3529-82-6
MF:C7H4N2O2S
MW:180.18
EINECS:628-314-9
Product Categories:Organic Building Blocks;Sulfur Compounds;Thiocyanates/Isothiocyanates
Mol File:3529-82-6.mol
3-NITROPHENYL ISOTHIOCYANATE Structure
3-NITROPHENYL ISOTHIOCYANATE Chemical Properties
Melting point 57-60 °C(lit.)
Boiling point 277.5°C (rough estimate)
density 1.4360 (rough estimate)
refractive index 1.6000 (estimate)
storage temp. 2-8°C
Water Solubility 50.45mg/L(25 ºC)
Sensitive Moisture Sensitive
BRN 2094061
InChIKeyOEZXLKSZOAWNJU-UHFFFAOYSA-N
CAS DataBase Reference3529-82-6(CAS DataBase Reference)
EPA Substance Registry SystemBenzene, 1-isothiocyanato-3-nitro- (3529-82-6)
Safety Information
Hazard Codes C
Risk Statements 34
Safety Statements 23-26-36/37/39-45
RIDADR UN 3261 8/PG 3
WGK Germany 3
RTECS NX9110000
TSCA Yes
HazardClass 6.1
PackingGroup II
HS Code 29309090
MSDS Information
ProviderLanguage
SigmaAldrich English
ALFA English
3-NITROPHENYL ISOTHIOCYANATE Usage And Synthesis
Uses3-Nitrophenyl isothiocyanate may be used in the synthesis of 2-[(3-nitrophenyl)amino]naphtho[2,1-b]furo-5H-[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin- 5-one and 5-methyl-3-(3-nitrophenyl)-2-thiooxazolidin-4-one.
It may be used in the synthesis of the following thiourea derivatives:
  • N-[(3-chlorophenyl)methyl]-N′-(3-nitrophenyl)thiourea
  • N-[(5-chloro-2-methoxyphenyl)methyl]-N′-(3-nitrophenyl)thiourea
  • R/S-N-[6-chlorochroman-4-yl]-N′-(3-nitrophenyl)thiourea
General Description3-Nitrophenyl isothiocyanate, also known as 1-isothiocyanato-3-nitrobenzene, is an organic building block containing an isocyanate group. Its enthalpy of vaporization at boiling point has been reported. Some of its physical properties like freezing point, boiling point, density and refractive index have been evaluated. Its synthesis from 3-nitroaniline has been reported.
2-METHYL-4-NITROPHENYL ISOTHIOCYANATE 4-NITROPHENYL ISOTHIOCYANATE,P-NITROPHENYL ISOTHIOCYANATE 2-METHYL-5-NITROPHENYL ISOTHIOCYANATE 2-Fluoro-5-nitrophenylisothiocyanate 4-METHOXY-2-NITROPHENYL ISOTHIOCYANATE 4-HYDROXY-3-NITROPHENYLISOTHIOCYANATE 2-NITROPHENYL ISOTHIOCYANATE 4-METHYL-2-NITROPHENYL ISOTHIOCYANATE,4-METHYL-2-NITROPHENYL ISOTHIOCYANATE 97% 3-NITROPHENYL ISOTHIOCYANATE 2-METHOXY-4-NITROPHENYL ISOTHIOCYANATE 2-METHOXY-5-NITROPHENYL ISOTHIOCYANATE 4-CHLORO-3-NITROPHENYL ISOTHIOCYANATE 2-CHLORO-4-NITROPHENYL ISOTHIOCYANATE, 9,2-CHLORO-4-NITROPHENYL ISOTHIOCYANATE 2-(TERT-BUTYL)-4,5,6-TRIMETHYL-3-NITROPHENYL ISOTHIOCYANATE 1-ISOTHIOCYANATO-2-METHYL-3-NITROBENZENE 4-Fluoro-3-nitrophenylisothiocyanate 2-CHLORO-5-NITROPHENYL ISOTHIOCYANATE
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