3-Chloro-2,2-dimethylpropionic acid - CAS 13511-38-1
Catalog: |
BB008079 |
Product Name: |
3-Chloro-2,2-dimethylpropionic acid |
CAS: |
13511-38-1 |
Synonyms: |
3-chloro-2,2-dimethylpropanoic acid |
IUPAC Name: | 3-chloro-2,2-dimethylpropanoic acid |
Description: | 3-Chloro-2,2-dimethylpropionic acid (CAS# 13511-38-1) is a useful research chemical. |
Molecular Weight: | 136.58 |
Molecular Formula: | C5H9ClO2 |
Canonical SMILES: | CC(C)(CCl)C(=O)O |
InChI: | InChI=1S/C5H9ClO2/c1-5(2,3-6)4(7)8/h3H2,1-2H3,(H,7,8) |
InChI Key: | YBJGQSNSAWZZHL-UHFFFAOYSA-N |
Boiling Point: | 215 °C (lit.) |
Density: | 1.166 g/cm3 |
Appearance: | Color beige crystalline |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD00004195 |
LogP: | 1.33600 |
GHS Hazard Statement: | H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112159362-A | Method for purifying intermediate 4, 4-dimethyl isoxazole-3-ketone | 20201028 |
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Complexity: | 98.6 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 136.0291072 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 136.0291072 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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