1,4-PHENYLENE DIISOTHIOCYANATE
1,4-PHENYLENE DIISOTHIOCYANATE
  • CAS No.:4044-65-9
Other grades of this product :
1,4-PHENYLENE DIISOTHIOCYANATE Basic information
Product Name:1,4-PHENYLENE DIISOTHIOCYANATE
Synonyms:1,4-diisothiocyanato-benzen;1,4-diisothiocyanatobenzene[qr];1,4-phenylenedi-isothiocyanicaci;Phenylene-1,4-diisothiocyanate, 1,4-Diisothiocyanatobenzene;PDITC;p-Phenylene diisothiocyanate 98%;p-Phenylene diisothiocyanate(PDITC);1,4-Phenylene diisothiocyanate for synthesis
CAS:4044-65-9
MF:C8H4N2S2
MW:192.26
EINECS:223-741-3
Product Categories:reagent;JONIT
Mol File:4044-65-9.mol
1,4-PHENYLENE DIISOTHIOCYANATE Chemical Properties
Melting point 129-131 °C (lit.)
Boiling point 339.4±25.0 °C(Predicted)
density 1.3675 (rough estimate)
refractive index 1.6000 (estimate)
storage temp. −20°C
solubility chloroform: clear
form powder
color white
Water Solubility Hydrolyzes in water.
Sensitive Moisture Sensitive
Merck 14,1308
BRN 2414340
InChIKeyOMWQUXGVXQELIX-UHFFFAOYSA-N
CAS DataBase Reference4044-65-9(CAS DataBase Reference)
EPA Substance Registry SystemBitoscanate (4044-65-9)
Safety Information
Hazard Codes Xn,Xi
Risk Statements 22-36/37/38-42
Safety Statements 22-26-36/37
RIDADR UN 2811 6.1/PG 3
WGK Germany 3
RTECS NX9150000
10-21
Hazard Note Irritant
TSCA Yes
HazardClass 6.1
PackingGroup II
HS Code 29291090
Hazardous Substances Data4044-65-9(Hazardous Substances Data)
ToxicityLD50 oral in mouse: 230mg/kg
MSDS Information
ProviderLanguage
SigmaAldrich English
ACROS English
ALFA English
1,4-PHENYLENE DIISOTHIOCYANATE Usage And Synthesis
Chemical Propertiesoff-white to yellow to beige-grey crystalline
Chemical PropertiesThose engaged in the manufacture, formulation and application of this anthelmintic compound. Incompatibilities: In general, keep away from strong oxidizers, moisture, strong acids, strong bases. This is a thiocyanate compound. Violent reactions may occur upon contact with chlorates (potassium chlorate, sodium chlorate), nitrates, nitric acid; organic peroxides.
UsesIt is used in the treatment of?hookworms.
UsesReagent for solid-phase sequencing.
Usesanthelmintic
General DescriptionOdorless colorless crystals. Melting point 132°C.
Reactivity Profile1,4-PHENYLENE DIISOTHIOCYANATE reacts readily with amines [Noller]. These reactions may generate significant amounts of heat . Emits very toxic fumes of nitrogen oxides and sulfur oxides when heated to decomposition [EPA, 1998].
Health Hazard1,4-PHENYLENE DIISOTHIOCYANATE is highly toxic if ingested. It is a central nervous system and gastrointestinal toxin in humans.
Fire HazardWhen heated to decomposition, 1,4-PHENYLENE DIISOTHIOCYANATE emits very toxic fumes of nitrogen oxides and sulfur oxides.
Safety ProfilePoison by ingestion and intraperitoneal routes. Human systemic effects by ingestion: hallucinations, nausea. When heated to decomposition it emits very toxic fumes of NOx,CN,and SOx.See also THIOCYANATES
Potential ExposureThose engaged in the manufacture, formulation and application of this anthelmintic compound. Incompatibilities: In general, keep away from strong oxidizers, moisture, strong acids, strong bases. This is a thiocyanate compound. Violent reactions may occur upon contact with chlorates (potassium chlorate, sodium chlorate), nitrates, nitric acid; organic peroxides.
ShippingUN2811 Toxic solids, organic, n.o.s., Hazard Class: 6.1; Labels: 6.1—Poisonous materials, Technical Name Required.
Purification MethodsPurify bitoscanate by recrystallisation from AcOH, pet ether (b 40-60o), Me2CO or aqueous Me2CO. [van der Kerk et al. Recl Trav Chim Pays-Bas 74 1262 1955, Leiber & Slutkin J Org Chem 27 2214 1962, Beilstein 13 IV 174.]
IncompatibilitiesIncompatible with oxidizers (chlorates, nitrates, peroxides, permanganates, perchlorates, chlorine, bromine, fluorine, etc.); contact may cause fires or explosions. Keep away from alkaline materials, strong bases, strong acids, oxoacids, epoxides.

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