86-93-1

Name 1-Phenyltetrazole-5-thiol
CAS 86-93-1
EINECS(EC#) 201-710-5
Molecular Formula C7H6N4S
MDL Number MFCD00003129
Molecular Weight 178.21
MOL File 86-93-1.mol

Chemical Properties

Appearance white to slightly yellow crystals or fluffy powder
Melting point  145 °C (dec.)(lit.)
Boiling point  342°C (rough estimate)
density  1.3046 (rough estimate)
refractive index  1.5500 (estimate)
Fp  138°C
storage temp.  Store at +15°C to +25°C.
solubility  ethanol: soluble5%, clear, colorless to faintly yellow
form  Solid
pka -3.85±0.20(Predicted)
color  White to Off-White
PH 3-5 (H2O, 20℃)suspension
Water Solubility  Soluble in 5% ethanol, water (partly), acetone, chloroform, and methanol.
Sensitive  Air Sensitive
Detection Methods T,NMR
BRN  139068
InChI 1S/C7H6N4S/c12-7-8-9-10-11(7)6-4-2-1-3-5-6/h1-5H,(H,8,10,12)
InChIKey GGZHVNZHFYCSEV-UHFFFAOYSA-N
SMILES Sc1nnnn1-c2ccccc2
CAS DataBase Reference 86-93-1(CAS DataBase Reference)
NIST Chemistry Reference 1H-tetrazole-5-thiol, 1-phenyl-(86-93-1)
EPA Substance Registry System 86-93-1(EPA Substance)

Safety Data

Symbol(GHS)  Flame (GHS02)Exclamation Mark (GHS07)
GHS02,GHS07
Signal word  Danger
Hazard statements  H228-H317-H319-H413
Precautionary statements  P210-P240-P273-P280-P302+P352-P305+P351+P338
Hazard Codes  Xn,F
Risk Statements 
R5:Heating may cause an explosion.
R22:Harmful if swallowed.
Safety Statements 
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
RIDADR  UN 1325 4.1/PG 2
WGK Germany  1
RTECS  XF7700000
F  4.10
Hazard Note  Flammable
TSCA  Yes
REACH Registrations Active
HazardClass  4.1
PackingGroup  III
HS Code  29339990
Storage Class 4.1A - Other explosive hazardous materials
Hazard Classifications Aquatic Chronic 4
Eye Irrit. 2
Flam. Sol. 1
Skin Sens. 1

Raw materials And Preparation Products

Hazard Information

Material Safety Data Sheet(MSDS)

Well-known Reagent Company Product Information

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