849607-28-9
Product Name:
3-(3-(Bromomethyl)-5-ethynylphenyl)-3-(trifluoromethyl)-3H-diazirine 95%
Formula:
C11H6BrF3N2
Synonyms:
Bromo diazirine alkyne;Probe building block
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SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02 |
| GHS Hazard Statements |
H242:Self-reactive substances and mixtures; and Organic peroxides |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P234:Keep only in original container. P235:Keep cool. P240:Ground/bond container and receiving equipment. P370+P378:In case of fire: Use … for extinction. P403:Store in a well-ventilated place. |
COMPUTED DESCRIPTORS
| Molecular Weight | 303.08 g/mol |
|---|---|
| XLogP3 | 3.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 301.96665 g/mol |
| Monoisotopic Mass | 301.96665 g/mol |
| Topological Polar Surface Area | 24.7 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 376 |
| 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 |