4044-65-9

Name 1,4-PHENYLENE DIISOTHIOCYANATE
CAS 4044-65-9
EINECS(EC#) 223-741-3
Molecular Formula C8H4N2S2
MDL Number MFCD00004811
Molecular Weight 192.26
MOL File 4044-65-9.mol

Chemical Properties

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

Symbol(GHS)  Skull and Crossbones (GHS06)Health Hazard (GHS08)
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

Raw materials And Preparation Products

Hazard Information

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