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35967-24-9

35967-24-9 structural image
Product Name: 3,4,5-TRIMETHOXYPHENYL ISOTHIOCYANATE
Formula: C10H11NO3S
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SAFETY INFORMATION

Signal word Danger
Pictogram(s)
GHS05
Corrosion
Corrosives
GHS05
GHS06
Skull and Crossbones
Acute Toxicity
GHS06
GHS07
Exclamation Mark
Irritant
GHS07
GHS08
Health Hazard
GHS08
GHS Hazard Statements H302:Acute toxicity,oral
H312:Acute toxicity,dermal
H314:Skin corrosion/irritation
H315:Skin corrosion/irritation
H318:Serious eye damage/eye irritation
H319:Serious eye damage/eye irritation
H331:Acute toxicity,inhalation
H332:Acute toxicity,inhalation
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.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P301+P330+P331:IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
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.
P405:Store locked up.

COMPUTED DESCRIPTORS

Molecular Weight 225.27 g/mol
XLogP3 3.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 4
Exact Mass 225.04596439 g/mol
Monoisotopic Mass 225.04596439 g/mol
Topological Polar Surface Area 72.1 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 229
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