ChemicalBook Product Catalog Chemical Reagents Organic reagents Thiocyanate / isothiocyanate 4-NITROPHENYL ISOTHIOCYANATE

4-NITROPHENYL ISOTHIOCYANATE

4-NITROPHENYL ISOTHIOCYANATE Basic information
Product Name:4-NITROPHENYL ISOTHIOCYANATE
Synonyms:Isothiocyanic Acid 4-Nitrophenyl Ester;1-isothiocyanato-4-nitro-benzen;4-Nitrophenyl isothiocyanate, 98% 25GR;4-Nitrophenyl isothiocyanate, 98% 5GR;4-Nitrophenyl isothiocyanate 98%;4-NITROPHENYL ISOTHIOCYANATE;P-NITROPHENYL ISOTHIOCYANATE;4-Nitrophenyl isothiocyanate,98%
CAS:2131-61-5
MF:C7H4N2O2S
MW:180.18
EINECS:218-359-9
Product Categories:Organic Building Blocks;Sulfur Compounds;Thiocyanates/Isothiocyanates
Mol File:2131-61-5.mol
4-NITROPHENYL ISOTHIOCYANATE Structure
4-NITROPHENYL ISOTHIOCYANATE Chemical Properties
Melting point 110-112 °C(lit.)
Boiling point 137-138 °C11 mm Hg(lit.)
density 1.4360 (rough estimate)
refractive index 1.6000 (estimate)
Fp 137-138°C/11mm
storage temp. Store at <= 20°C.
form powder to crystal
color Light orange to Yellow to Green
Water Solubility It hydrolyzes with water. Soluble in toluene.
Sensitive Moisture Sensitive
BRN 640027
InChIKeyNXHSSIGRWJENBH-UHFFFAOYSA-N
CAS DataBase Reference2131-61-5(CAS DataBase Reference)
EPA Substance Registry SystemBenzene, 1-isothiocyanato-4-nitro- (2131-61-5)
Safety Information
Hazard Codes Xn
Risk Statements 36/37/38-42
Safety Statements 22-26-36
RIDADR 2811
WGK Germany 3
F 10-21
TSCA Yes
HazardClass 6.1(b)
PackingGroup III
HS Code 29309090
MSDS Information
ProviderLanguage
ACROS English
SigmaAldrich English
ALFA English
4-NITROPHENYL ISOTHIOCYANATE Usage And Synthesis
Chemical Propertiesyellow crystalline powder
Uses4-Nitrophenyl isothiocyanate has been used in the synthesis of:
  • 5,6-dimethyl-2-[(4-nitrophenyl)amino]thieno[2,3-d]pyrimidin-4(3H)-one
  • 4,5-dimethyl-2-substituted carbamothioylaminothiophene-3-carboxamides
  • acyclic triazene or zwitterionic dihydropyrimidinium imidothiolate derivatives
Uses4-Nitrophenyl isothiocyanate is used as specializing in synthesizing of organic fine chemicals and pharmaceutical intermediates for use in development and production
Synthesis Reference(s)The Journal of Organic Chemistry, 37, p. 1360, 1972 DOI: 10.1021/jo00974a016
General DescriptionThe solid-state reactivity of hydrazine hydrochloride with 4-nitrophenyl isothiocyanate was studied.
4-NITROPHENYL ISOTHIOCYANATE Preparation Products And Raw materials
Preparation Products1,4-PHENYLENE DIISOTHIOCYANATE-->1,3-bis(4-nitrophenyl)thiourea
SEC-BUTYL ISOTHIOCYANATE ETHYL ISOTHIOCYANATOACETATE 2-METHYL-4-NITROPHENYL ISOTHIOCYANATE 4-NITROPHENYL ISOTHIOCYANATE 2-METHYL-5-NITROPHENYL ISOTHIOCYANATE 2-Bromo-4-nitrophenylisothiocyanate 4-Nitro-3-(trifluoromethyl)phenylisothiocyanate 2-NITROPHENYL ISOTHIOCYANATE 4-METHYL-2-NITROPHENYL ISOTHIOCYANATE,4-METHYL-2-NITROPHENYL ISOTHIOCYANATE 97% M-NITROPHENYL ISOTHIOCYANATE,3-NITROPHENYL ISOTHIOCYANATE 2-METHOXY-4-NITROPHENYL ISOTHIOCYANATE 2-METHOXY-5-NITROPHENYL ISOTHIOCYANATE 4-CHLORO-3-NITROPHENYL ISOTHIOCYANATE 2-CHLORO-4-NITROPHENYL ISOTHIOCYANATE,2-CHLORO-4-NITROPHENYL ISOTHIOCYANATE, 9 2-(TERT-BUTYL)-4,5,6-TRIMETHYL-3-NITROPHENYL ISOTHIOCYANATE 2-Fluoro-4-nitrophenylisothiocyanate 4-Nitro-2-(trifluoromethyl)phenylisothiocyanate 2-CHLORO-5-NITROPHENYL ISOTHIOCYANATE
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