51707-55-2

Name 5-Phenylcarbamoylamino-1,2,3-thiadiazole
CAS 51707-55-2
EINECS(EC#) 257-356-7
Molecular Formula C9H8N4OS
MDL Number MFCD00078723
Molecular Weight 220.25
MOL File 51707-55-2.mol

Chemical Properties

Melting point  213°C
density  1.3493 (rough estimate)
refractive index  1.6390 (estimate)
storage temp.  0-6°C
solubility  Soluble in DMSO
form  neat
pka 12.06±0.70(Predicted)
color  Light yellow to yellow
Merck  13,9384
BRN  1078092
Henry's Law Constant 3.0×107 mol/(m3Pa) at 25℃, HSDB (2015)
Major Application agriculture
InChI InChI=1S/C9H8N4OS/c14-9(12-8-6-10-13-15-8)11-7-4-2-1-3-5-7/h1-6H,(H2,11,12,14)
InChIKey HFCYZXMHUIHAQI-UHFFFAOYSA-N
SMILES N(C1=CC=CC=C1)C(NC1SN=NC=1)=O
CAS DataBase Reference 51707-55-2(CAS DataBase Reference)
EPA Substance Registry System 51707-55-2(EPA Substance)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)Environment (GHS09)
GHS07,GHS09
Signal word  Warning
Hazard statements  H315-H319-H335-H410
Precautionary statements  P261-P264-P271-P273-P302+P352-P305+P351+P338
Hazard Codes  Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
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:Wear suitable protective clothing .
RIDADR  UN 3077 9 / PGIII
WGK Germany  3
RTECS  YU1395000
HS Code  2934999090
Storage Class 11 - Combustible Solids
Hazard Classifications Aquatic Acute 1
Aquatic Chronic 1
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Safety Profile
Moderately toxic by ingestion. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of SOx and NOx.
Hazardous Substances Data 51707-55-2(Hazardous Substances Data)
Toxicity
LC50 (96-hour) for bluegill sun?sh, channel cat?sh and rainbow trout >1,000 mg/L (Hartley and Kidd, 1987); acute oral LD50 for rats >5,000 mg/kg (Hartley and Kidd, 1987), 5,350 mg/kg (RTECS, 1985).

Hazard Information

Material Safety Data Sheet(MSDS)

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