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

InChIKey

OMWQUXGVXQELIX-UHFFFAOYSA-N

CAS DataBase Reference

4044-65-9(CAS DataBase Reference)

EPA Substance Registry System

Bitoscanate (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 Data

4044-65-9(Hazardous Substances Data)

Toxicity

LD50 oral in mouse: 230mg/kg

MSDS

• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

1,4-PHENYLENE DIISOTHIOCYANATE Usage And Synthesis

Description

Bitoscanate is a colorless to beige, odorless,crystalline compound. Molecular weight=192.3; Freezing/Melting point=132℃. Hazard Identification (based onNFPA-704 M Rating System): Health 2, Flammability 1,Reactivity 0.

Chemical Properties

Those 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.

Chemical Properties

off-white to yellow to beige-grey crystalline

Uses

Reagent for solid-phase sequencing.

Uses

anthelmintic

Uses

It is used in the treatment of?hookworms.

Definition

ChEBI: Bitoscanate is a member of benzenes.

General Description

Odorless colorless crystals. Melting point 132°C.

Reactivity Profile

1,4-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 Hazard

1,4-PHENYLENE DIISOTHIOCYANATE is highly toxic if ingested. It is a central nervous system and gastrointestinal toxin in humans.

Fire Hazard

When heated to decomposition, 1,4-PHENYLENE DIISOTHIOCYANATE emits very toxic fumes of nitrogen oxides and sulfur oxides.

Safety Profile

Poison 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 Exposure

Those 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.

First aid

If this chemical gets into the eyes, remove anycontact lenses at once and irrigate immediately for at least15 min, occasionally lifting upper and lower lids. Seekmedical attention immediately. If this chemical contactsthe skin, remove contaminated clothing and wash immediately with soap and water. Seek medical attention immediately. If this chemical has been inhaled, remove fromexposure, begin rescue breathing (using universal precautions, including resuscitation mask) if breathing hasstopped and CPR if heart action has stopped. Transferpromptly to a medical facility. When this chemical hasbeen swallowed, get medical attention. Give large quantities of water and induce vomiting. Do not make an unconscious person vomit. For cyanide poisoning, use amylnitrate capsules if symptoms develop. All area employeesshould be trained regularly in emergency measures for cyanide poisoning and in CPR. A cyanide antidote kit shouldbe kept in the immediate work area and must be rapidlyavailable. Kit ingredients should be replaced every 1
2years to ensure freshness. Persons trained in the use of thiskit, oxygen use, and CPR must be quickly available.

storage

Color Code—Green: General storage may be used.Store in tightly closed containers in a cool, well-ventilatedarea. Store under inert gas; moisture sensitive.

Shipping

UN2811 Toxic solids, organic, n.o.s., Hazard Class: 6.1; Labels: 6.1—Poisonous materials, Technical Name Required.

Purification Methods

Purify 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.]

Incompatibilities

Incompatible 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.

1,4-PHENYLENE DIISOTHIOCYANATE(4044-65-9)Related Product Information

• TEREPHTHALAMIDE
• 2-BROMO-4-FLUOROPHENYL CHLOROTHIOFORMATE
• 4-(trifluoromethoxy)phenyl chlorothioformate
• methyl 4-(chlorocarbonothioyloxy)benzoate
• 4-isothiocyanato-2-(trifluoroMethyl)benzonitrile
• 4-CHLOROPHENYL CHLOROTHIONOFORMATE
• Terephthalic acid monoamide
• DIISOPROPYL PHTHALATE
• 4-METHYL-M-PHENYLENE DIISOTHIOCYANATE
• isothiocyanic acid
• 1,4-PHENYLENE DIISOTHIOCYANATE
• Methyl isothiocyanate
• Phenyl isothiocyanate
• 2,4-Toluene diisothiocyanate, 4-Methyl-1,3-phenylene diisothiocyanate
• 2,5-DIISOTHIOCYANATO-BENZENESULPHONIC ACID 2 H2O
• 1 3-PHENYLENE DIISOTHIOCYANATE 97
• 2,6-Toluene diisothiocyanate, 2-Methyl-1,3-phenylene diisothiocyanate
• 1,2-PHENYLENE DIISOTHIOCYANATE