4-NITROPHENYL ISOTHIOCYANATE

4-NITROPHENYL ISOTHIOCYANATE
  • CAS No.:2131-61-5
Other grades of this product :
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 isothiocyate, 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 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
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 is used as specializing in synthesizing of organic fine chemicals and pharmaceutical intermediates for use in development and production
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
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

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