94-97-3

Name 5-Chlorobenzotriazole
CAS 94-97-3
EINECS(EC#) 202-378-4
Molecular Formula C6H4ClN3
MDL Number MFCD00005700
Molecular Weight 153.57
MOL File 94-97-3.mol
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Chemical Properties

Appearance OFF-WHITE POWDER
Melting point  157-159 °C (lit.)
Boiling point  252.42°C (rough estimate)
density  1.3647 (rough estimate)
refractive index  1.7200 (estimate)
storage temp.  2-8°C, protect from light
solubility  DMSO (Slightly), Methanol (Slightly)
form  powder to crystal
pka 7.46±0.40(Predicted)
color  White to Orange to Green
Water Solubility  SOLUBLE IN HOT WATER
InChI InChI=1S/C6H4ClN3/c7-4-1-2-5-6(3-4)9-10-8-5/h1-3H,(H,8,9,10)
InChIKey PZBQVZFITSVHAW-UHFFFAOYSA-N
SMILES N1C2=CC(Cl)=CC=C2N=N1
CAS DataBase Reference 94-97-3(CAS DataBase Reference)
EPA Substance Registry System 94-97-3(EPA Substance)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302
Precautionary statements  P264-P270-P301+P312-P330-P501
Hazard Codes  Xn,Xi
Risk Statements 
R22:Harmful if swallowed.
R37:Irritating to the respiratory system.
Safety Statements 
S24/25:Avoid contact with skin and eyes .
WGK Germany  3
TSCA  TSCA listed
HS Code  29339900
Storage Class 11 - Combustible Solids

Hazard Information

Material Safety Data Sheet(MSDS)

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