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2114-02-5

Name Amidinothiourea
CAS 2114-02-5
EINECS(EC#) 218-308-0
Molecular Formula C2H6N4S
MDL Number MFCD00014472
Molecular Weight 118.16
MOL File 2114-02-5.mol
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Chemical Properties

Appearance white to off-white crystals or crystalline powder
Melting point  171-173 °C(lit.)
Boiling point  231.2±23.0 °C(Predicted)
density  1.301 (estimate)
refractive index  1.5605 (estimate)
storage temp.  Sealed in dry,Room Temperature
form  Crystalline Powder or Crystals
pka 11.89±0.70(Predicted)
color  White to off-white
PH 8.87 at 24.1℃ and 10g/L
Water Solubility  7 g/100 mL (20 ºC)
BRN  1756620
InChI InChI=1S/C2H6N4S/c3-1(4)6-2(5)7/h(H6,3,4,5,6,7)
InChIKey OKGXJRGLYVRVNE-UHFFFAOYSA-N
SMILES N(C(N)=N)C(N)=S
LogP 1.8 at 30℃ and pH7.86
CAS DataBase Reference 2114-02-5(CAS DataBase Reference)

Safety Data

Hazard Codes  Xi,Xn
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
S24/25:Avoid contact with skin and eyes .
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
RIDADR  2811
WGK Germany  3
RTECS  YR8250000
PackingGroup  III
HS Code  29309090
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Toxicity
mouse,LD50,intraperitoneal,1440mg/kg (1440mg/kg),Pharmaceutical Chemistry Journal Vol. 30, Pg. 181, 1996.

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