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40357-96-8

Name 2-NITROTHIOPHENE-4-CARBOXYLIC ACID
CAS 40357-96-8
Molecular Formula C5H3NO4S
MDL Number MFCD00052582
Molecular Weight 173.15
MOL File 40357-96-8.mol
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Chemical Properties

Melting point  147 °C
Boiling point  367.2±27.0 °C(Predicted)
density  1.676±0.06 g/cm3(Predicted)
storage temp.  Storage temp. 2-8°C
form  solid
pka 3.16±0.10(Predicted)
Appearance Light yellow to brown Solid
Detection Methods HPLC
InChI InChI=1S/C5H3NO4S/c7-5(8)3-1-4(6(9)10)11-2-3/h1-2H,(H,7,8)
InChIKey VNJUNWUOAKEIKG-UHFFFAOYSA-N
SMILES C1SC([N+]([O-])=O)=CC=1C(O)=O
CAS DataBase Reference 40357-96-8(CAS DataBase Reference)

Safety Data

Hazard Codes  Xi
Risk Statements 
Safety Statements 
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
WGK Germany  WGK 3
Hazard Note  Irritant
HazardClass  IRRITANT
HS Code  29349990
Storage Class 11 - Combustible Solids

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