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100275-94-3

100275-94-3 structural image
Product Name: 2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL ISOCYANATE
Formula: C9H7NO3
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SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Exclamation Mark
Irritant
GHS07

Health Hazard
GHS08
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H334:Sensitisation, respiratory
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P342+P311:IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.

COMPUTED DESCRIPTORS

Molecular Weight 177.16 g/mol
XLogP3 2.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 1
Exact Mass 177.042593085 g/mol
Monoisotopic Mass 177.042593085 g/mol
Topological Polar Surface Area 47.9 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 225
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes