558-42-9
Product Name:
1-CHLORO-2-METHYL-2-PROPANOL
Formula:
C4H9ClO
Synonyms:
Chloro-tert-butyl alcohol
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CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Clear dark yellow liquid; [Sigma-Aldrich MSDS] |
|---|---|
| Chemical Classes | Other Classes -> Halogenated Alcohols |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02 |
| GHS Hazard Statements |
H226:Flammable liquids |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233:Keep container tightly closed. P240:Ground/bond container and receiving equipment. P241:Use explosion-proof electrical/ventilating/lighting/…/equipment. P242:Use only non-sparking tools. P243:Take precautionary measures against static discharge. |
COMPUTED DESCRIPTORS
| Molecular Weight | 108.57 g/mol |
|---|---|
| XLogP3 | 0.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 108.0341926 g/mol |
| Monoisotopic Mass | 108.0341926 g/mol |
| Topological Polar Surface Area | 20.2 Ų |
| Heavy Atom Count | 6 |
| Formal Charge | 0 |
| Complexity | 42.8 |
| 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 |