2,3-Dimethylbutanoyl Chloride - CAS 51760-90-8
Catalog: |
BB027575 |
Product Name: |
2,3-Dimethylbutanoyl Chloride |
CAS: |
51760-90-8 |
Synonyms: |
2,3-dimethylbutanoyl chloride; 2,3-dimethylbutanoyl chloride |
IUPAC Name: | 2,3-dimethylbutanoyl chloride |
Description: | 2,3-Dimethylbutanoyl Chloride (CAS# 51760-90-8) is an intermediate used in the synthesis of 3-Chloro-2-methylbutane (Contains CCl4) (C990505), which is a generic chemical reagent used in the synthesis of alkylthioalkylmalonic esters as antimicrobial agents for the inhibition of microorganisms. |
Molecular Weight: | 134.60 |
Molecular Formula: | C6H11ClO |
Canonical SMILES: | CC(C)C(C)C(=O)Cl |
InChI: | InChI=1S/C6H11ClO/c1-4(2)5(3)6(7)8/h4-5H,1-3H3 |
InChI Key: | MYJXBWNOORYUSN-UHFFFAOYSA-N |
Boiling Point: | 129.8 °C at 760 mmHg |
Density: | 0.983 g/cm3 |
LogP: | 2.04390 |
GHS Hazard Statement: | H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P370+P378, P403+P235, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-110730771-A | 13-Oxyodendron diterpene alcohol derivatives and uses thereof | 20170609 |
US-10590085-B2 | Heterocyclic amides as kinase inhibitors | 20150519 |
US-2018134665-A1 | Heterocyclic amides as kinase inhibitors | 20150519 |
US-2020165205-A1 | Heterocyclic amides as kinase inhibitors | 20150519 |
WO-2016185423-A1 | Heterocyclic amides as kinase inhibitors | 20150519 |
Complexity: | 88.5 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 134.0498427 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 134.0498427 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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