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4430-47-1

4430-47-1 structural image
Product Name: 3,4-(METHYLENEDIOXY)BENZYL ISOTHIOCYANATE
Formula: C9H7NO2S
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SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Corrosion
Corrosives
GHS05

Skull and Crossbones
Acute Toxicity
GHS06
GHS Hazard Statements H314:Skin corrosion/irritation
H331:Acute toxicity,inhalation
Precautionary Statement Codes P260:Do not breathe dust/fume/gas/mist/vapours/spray.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

COMPUTED DESCRIPTORS

Molecular Weight 193.22 g/mol
XLogP3 3.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 2
Exact Mass 193.01974964 g/mol
Monoisotopic Mass 193.01974964 g/mol
Topological Polar Surface Area 62.9 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 228
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