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2094-99-7

2094-99-7 structural image
Product Name: 3-ISOPROPENYL-ALPHA,ALPHA-DIMETHYLBENZYL ISOCYANATE
Formula: C13H15NO
Synonyms: m -Isoprenyl-α,α′-dimethylbenzyl isocyanate;3-Isopropenyl-α,α′-dimethylbenzyl isocyanate
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Liquid

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Corrosion
Corrosives
GHS05

Skull and Crossbones
Acute Toxicity
GHS06

Health Hazard
GHS08

Environment
GHS09
GHS Hazard Statements H314:Skin corrosion/irritation
H317:Sensitisation, Skin
H330:Acute toxicity,inhalation
H334:Sensitisation, respiratory
H373:Specific target organ toxicity, repeated exposure
H410:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P273:Avoid release to the environment.
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.

COMPUTED DESCRIPTORS

Molecular Weight 201.26 g/mol
XLogP3 4.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 3
Exact Mass 201.115364102 g/mol
Monoisotopic Mass 201.115364102 g/mol
Topological Polar Surface Area 29.4 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 287
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