73096-39-6

Name 3-(2H-TETRAZOL-5-YL)-BENZOIC ACID
CAS 73096-39-6
Molecular Formula C8H6N4O2
MDL Number MFCD06797250
Molecular Weight 190.16
MOL File 73096-39-6.mol
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Chemical Properties

Melting point  284-286°C
Boiling point  496.4±47.0 °C(Predicted)
density  1.518±0.06 g/cm3(Predicted)
storage temp.  Inert atmosphere,Room Temperature
solubility  DMSO (Slightly), Methanol (Slightly)
form  Solid
pka 3.56±0.10(Predicted)
color  White to Off-White
InChI 1S/C8H6N4O2/c13-8(14)6-3-1-2-5(4-6)7-9-11-12-10-7/h1-4H,(H,13,14)(H,9,10,11,12)
InChIKey MIERACSHCALJOM-UHFFFAOYSA-N
SMILES OC(=O)c1cccc(c1)-c2nn[nH]n2

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Danger
Hazard statements  H315-H319-H335
Precautionary statements  P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes  Xn
Risk Statements 
WGK Germany  WGK 3
HazardClass  IRRITANT
Storage Class 11 - Combustible Solids

Hazard Information

Spectrum Detail

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