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2075-45-8

Name 4-Bromopyrazole
CAS 2075-45-8
Molecular Formula C3H3BrN2
MDL Number MFCD00075602
Molecular Weight 146.97
MOL File 2075-45-8.mol
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Chemical Properties

Appearance White to cream crystalline powder
Melting point  93-96 °C (lit.)
Boiling point  250-260 °C (lit.)
density  1.5979 (rough estimate)
refractive index  1.5260 (estimate)
storage temp.  Inert atmosphere,Room Temperature
solubility  Chloroform, DMSO, Methanol
form  Crystalline Powder
pka 12.71±0.50(Predicted)
color  White to cream
Water Solubility  Slightly soluble in water.
InChI InChI=1S/C3H3BrN2/c4-3-1-5-6-2-3/h1-2H,(H,5,6)
InChIKey FHZALEJIENDROK-UHFFFAOYSA-N
SMILES N1C=C(Br)C=N1
CAS DataBase Reference 2075-45-8(CAS DataBase Reference)
NIST Chemistry Reference 1H-pyrazole, 4-bromo-(2075-45-8)

Safety Data

Hazard Codes  Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
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 .
WGK Germany  3
RTECS  UQ6200000
Hazard Note  Irritant
HazardClass  IRRITANT
HS Code  29331990

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