121-66-4

Name 2-Amino-5-nitrothiazole
CAS 121-66-4
EINECS(EC#) 204-490-9
Molecular Formula C3H3N3O2S
MDL Number MFCD00005326
Molecular Weight 145.14
MOL File 121-66-4.mol
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Chemical Properties

Appearance greenish yellow, to orange or brown powder
Melting point  195-200 °C (dec.) (lit.)
Boiling point  345.1±15.0 °C(Predicted)
density  1.583 (estimate)
refractive index  1.6740 (estimate)
storage temp.  Keep in dark place,Inert atmosphere,2-8°C
solubility  95% ethanol: soluble1g/150g at 20°C
form  Powder
pka 1.26±0.10(Predicted)
color  Yellow
Stability: Stable. Incompatible with strong acids, strong oxidizing agents, acid chlorides, acid anhydrides.
Water Solubility  <0.1 g/100 mL at 20 ºC
Sensitive  Light Sensitive
Merck  14,457
BRN  126797
InChI 1S/C3H3N3O2S/c4-3-5-1-2(9-3)6(7)8/h1H,(H2,4,5)
InChIKey MIHADVKEHAFNPG-UHFFFAOYSA-N
SMILES Nc1ncc(s1)[N+]([O-])=O
CAS DataBase Reference 121-66-4(CAS DataBase Reference)
IARC 3 (Vol. 31, Sup 7) 1987
EPA Substance Registry System 121-66-4(EPA Substance)
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Safety Data

Hazard Codes  Xn,Xi
Risk Statements 
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
R40:Limited evidence of a carcinogenic effect.
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 .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S24/25:Avoid contact with skin and eyes .
S36/37:Wear suitable protective clothing and gloves .
WGK Germany  3
RTECS  XJ2800000
F  8
Hazard Note  Irritant
TSCA  Yes
HS Code  29341000
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Safety Profile
Poison by intraperitoneal route. Experimental reproductive effects. Questionable carcinogen with experimental carcinogenic, tumorigenic, and neoplastigenic data. Mutation data reported. When heated to decomposition it emits very toxic fumes of NOx and SO,. Incompatible with HNO3 and H2SO4. An antiprotozoal agent.
Hazardous Substances Data 121-66-4(Hazardous Substances Data)

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