| Identification | More | [Name]
1,4-PHENYLENE DIISOTHIOCYANATE | [CAS]
4044-65-9 | [Synonyms]
1,4-DIISOTHIOCYANATOBENZENE
1,4-PHENYLENE DIISOTHIOCYANATE
BENZENE 1,4-DIISOTHIOCYANATE
BITOSCANATE
DITC
PHENYLENEDIISOTHIOCYANATE(1,4-)
P-PHENYLENE DIISOTHIOCYANATE
1,4-diisothiocyanato-benzen
1,4-diisothiocyanatobenzene[qr]
1,4-phenylenedi-isothiocyanicaci
16842(uspddn)[qr]
ai3-28258[qr]
Benzene, 1,4-diisothiocyanato-
benzene,1,4-diisothiocyanato-[qr]
Biscomate
Bitoscanat
bitoscanato[qr]
bitoscanatum(latin)[qr]
Isothiocyanic acid, 1,4-phenylenedi-
Isothiocyanic acid, p-phenylene ester | [EINECS(EC#)]
223-741-3 | [Molecular Formula]
C8H4N2S2 | [MDL Number]
MFCD00004811 | [Molecular Weight]
192.26 | [MOL File]
4044-65-9.mol |
| Chemical Properties | Back Directory | [Appearance]
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. | [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 | [InChI]
1S/C8H4N2S2/c11-5-9-7-1-2-8(4-3-7)10-6-12/h1-4H | [InChIKey]
OMWQUXGVXQELIX-UHFFFAOYSA-N | [SMILES]
S=C=Nc1ccc(cc1)N=C=S | [CAS DataBase Reference]
4044-65-9(CAS DataBase Reference) | [EPA Substance Registry System]
Bitoscanate (4044-65-9) |
| Safety Data | Back Directory | [Symbol(GHS) ]
 
GHS06,GHS08 | [Signal word ]
Danger | [Hazard statements ]
H301-H315-H319-H334-H335 | [Precautionary statements ]
P301+P310+P330-P302+P352-P305+P351+P338 | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
R42:May cause sensitization by inhalation. | [Safety Statements ]
S22:Do not breathe dust .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37:Wear suitable protective clothing and gloves . | [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 | [Storage Class]
6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects | [Hazard Classifications]
Acute Tox. 3 Oral
Eye Irrit. 2
Resp. Sens. 1
Skin Irrit. 2
STOT SE 3 | [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 | [Hazardous Substances Data]
4044-65-9(Hazardous Substances Data) | [Toxicity]
LD50 oral in mouse: 230mg/kg |
| Hazard Information | Back Directory | [General Description]
Odorless colorless crystals. Melting point 132°C. | [Reactivity Profile]
BITOSCANATE 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]
This material is highly toxic if ingested. It is a central nervous system and gastrointestinal toxin in humans. | [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. | [Fire Hazard]
When heated to decomposition, BITOSCANATE emits very toxic fumes of nitrogen oxides and sulfur oxides. | [First aid]
Move victim to fresh air. Call 911 or emergency
medical service. Give artificial respiration if victim is not
breathing. Do not use mouth-to-mouth method if victim
ingested or inhaled the substance; give artificial respiration
with the aid of a pocket mask equipped with a one-way
valve or other proper respiratory medical device.
Administer oxygen if breathing is difficult. Remove and
isolate contaminated clothing and shoes. In case of contact
with substance, immediately flush skin or eyes with running
water for at least 20 minutes. For minor skin contact,
avoid spreading material on unaffected skin. Keep victim
warm and quiet. Effects of exposure (inhalation, ingestion,
or skin contact) to substance may be delayed. Ensure that
medical personnel are aware of the material(s) involved
and take precautions to protect themselves. Medical observation
is recommended for 24 to 48 hours after breathing
overexposure, as pulmonary edema may be delayed. As
first aid for pulmonary edema, a doctor or authorized paramedic
may consider administering a drug or other inhalation
therapy. | [Shipping]
UN2811 Toxic solids, organic, n.o.s., Hazard
Class: 6.1; Labels: 6.1—Poisonous materials, Technical
Name Required. | [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. | [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]
off-white to yellow to beige-grey crystalline | [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. | [Uses]
anthelmintic | [Uses]
Reagent for solid-phase sequencing. | [Definition]
ChEBI: Bitoscanate is a member of benzenes. | [reaction suitability]
reagent type: cross-linking reagent | [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. | [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.] |
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J & K SCIENTIFIC LTD.
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https://www.jkchemical.com |
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Alfa Aesar
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Energy Chemical
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RYSS TECH LTD
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