1,4-PHENYLENE DIISOTHIOCYANATE

1,4-PHENYLENE DIISOTHIOCYANATE
  • CAS No.:4044-65-9

Important Notice

  1. This product is a chemical product/pharmaceutical intermediate. It is not a drug, an active pharmaceutical ingredient (API), or a pharmaceutical-grade material. It has not been granted a drug approval number or a Chemical Drug Substance Approval Notice, has not passed drug-related review and approval, and is not manufactured, tested, or released in accordance with pharmaceutical GMP.
  2. This product is intended solely for non-clinical research, process development, quality studies, further chemical processing, or chemical synthesis. It must not be used in drug-product manufacturing, clinical trials, clinical diagnosis, or administration to humans or animals, or be sold, used as an input, submitted for regulatory filing, or released as an API or pharmaceutical material.
  3. The purchaser must not use this product, or supply it to another party, for personal consumption, sports or fitness, weight loss, health supplements, food, or animal feed.
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
F 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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