937796-04-8
Product Name:
4-(3,5-Dimethyl-1H-pyrazol-1-yl)phenyl isocyanate 97%
Formula:
C12H11N3O
Inquiry
SAFETY INFORMATION
Signal word | Danger |
---|---|
Pictogram(s) |
Exclamation Mark Irritant GHS07 Health Hazard GHS08 |
GHS Hazard Statements |
H334:Sensitisation, respiratory |
Precautionary Statement Codes |
P260:Do not breathe dust/fume/gas/mist/vapours/spray. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. |
COMPUTED DESCRIPTORS
Molecular Weight | 213.23 g/mol |
---|---|
XLogP3 | 3.5 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 3 |
Rotatable Bond Count | 2 |
Exact Mass | 213.090211983 g/mol |
Monoisotopic Mass | 213.090211983 g/mol |
Topological Polar Surface Area | 47.2 Ų |
Heavy Atom Count | 16 |
Formal Charge | 0 |
Complexity | 280 |
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 |