2,1-Benzisoxazole Structure

2,1-Benzisoxazole

Chemical Properties

Melting point <-18.15°C
Boiling point 101-102 °C15 mm Hg(lit.)
Density  1.183 g/mL at 25 °C(lit.)
refractive index  n20/D 1.584(lit.)
Flash point 201 °F
storage temp.  Inert atmosphere,Room Temperature
form  Liquid
pka -2.03±0.30(Predicted)
color  Clear yellow to brown-red
InChI InChI=1S/C7H5NO/c1-2-4-7-6(3-1)5-9-8-7/h1-5H
InChIKey FZKCAHQKNJXICB-UHFFFAOYSA-N
SMILES N1=C2C(C=CC=C2)=CO1
CAS DataBase Reference 271-58-9(CAS DataBase Reference)
FDA UNII 58GQ20G9W6
UNSPSC Code 12352100
NACRES NA.22

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H302
Precautionary statements P280-P305+P351+P338
Hazard Codes  Xn
Risk Statements  22
Safety Statements  24/25-25-24
WGK Germany  3
HS Code  29349990
Storage Class 10 - Combustible liquids
Hazard Classifications Acute Tox. 4 Oral
NFPA 704:
1
2 0

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