chempirical

2-Ethylbutyryl chloride

C6H11ClOCAS 2736-40-5134.60 g/mol

Open in Covalent MOL file
OCl
Acyl halide

Properties

Molecular formula
C6H11ClO
Molar mass
134.60 g/mol
Exact mass
134.0498 Da
Density
0.957 g/mL (at 29 °C)
Boiling point
140 °C
logP
2.19Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

Identifiers

CAS number
2736-40-5
SMILES
CCC(CC)C(=O)Cl
InChIKey
SMUKODJVMQOSAB-UHFFFAOYSA-N
InChI
InChI=1S/C6H11ClO/c1-3-5(4-2)6(7)8/h5H,3-4H2,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

6 names
  • Butanoyl chloride, 2-ethyl-
  • Butyryl chloride, 2-ethyl-
  • 2-Ethylbutanoyl chloride
  • Diethylacetyl chloride
  • α-Ethylbutyryl chloride
  • NSC 8757

Work with 2-Ethylbutyryl chloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Ethylhexanoyl chloride760-67-865 % similar 2-Propylpentanoyl chloride2936-08-558 % similar Cyclopropanecarbonyl chloride4023-34-157 % similar Cyclopentanecarbonyl chloride4524-93-052 % similar Cyclobutanecarbonyl chloride5006-22-452 % similar Cyclohexanecarbonyl chloride2719-27-950 % similar α-Ethylbenzeneacetyl chloride36854-57-645 % similar 2-Ethylbutanoic acid88-09-544 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

6-Chloro-2-hexanone10226-30-9 1-Chloropinacolone13547-70-1 Hexanoyl chloride142-61-0 2-Chlorocyclohexanol1561-86-0 4-Methylpentanoyl chloride38136-29-7 2-Methylpentanoyl chloride5238-27-7 2,2-Dimethylbutanoyl chloride5856-77-9 3,3-Dimethylbutanoyl chloride7065-46-5

Elsewhere

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