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5-Phenyltetrazole Structure

5-Phenyltetrazole

Chemical Properties

Melting point 216 °C (dec.)(lit.)
Boiling point 255.75°C (rough estimate)
Density  1.2955 (rough estimate)
refractive index  1.6530 (estimate)
storage temp.  Sealed in dry,Room Temperature
solubility  DMSO, Methanol (Slightly)
form  Crystalline Powder
pka 4.28±0.10(Predicted)
color  White to almost white
InChI InChI=1S/C7H6N4/c1-2-4-6(5-3-1)7-8-10-11-9-7/h1-5H,(H,8,9,10,11)
InChIKey MARUHZGHZWCEQU-UHFFFAOYSA-N
SMILES N1=C(C2=CC=CC=C2)N=NN1
CAS DataBase Reference 18039-42-4(CAS DataBase Reference)
NIST Chemistry Reference 1H-Tetrazole, 5-phenyl-(18039-42-4)
EPA Substance Registry System 1H-Tetrazole, 5-phenyl- (18039-42-4)

Safety Information

Hazard Codes  Xn,Xi,F
Risk Statements  22-44-11-36/37/38
Safety Statements  36-37/39-26-16
RIDADR  UN 1325 4.1/PG III
WGK Germany  3
RTECS  XF7538750
TSCA  Yes
HazardClass  IRRITANT
PackingGroup  III
HS Code  29339900
Toxicity mouse,LD50,oral,890mg/kg (890mg/kg),BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLDLUNGS, THORAX, OR RESPIRATION: DYSPNEA,National Technical Information Service. Vol. OTS0570992,

MSDS

Usage And Synthesis

Preparation Products And Raw materials

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