4-Chlorobutanoic acid

C₄H₇ClO₂CAS 627-00-9122.55 g/mol

Open in Covalent MOL file

Alcohol Carboxylic Acid Halogen

Properties

Molecular formula: C₄H₇ClO₂
Molar mass: 122.55 g/mol
Exact mass: 122.0135 Da
Density: 1.2373 g/mL (at 20 °C)
Melting point: 16 °C
Boiling point: 114 °C (at 16 Torr)
logP: 1.09Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 3

Identifiers

CAS number

627-00-9

SMILES

O=C(O)CCCCl

InChIKey

IPLKGJHGWCVSOG-UHFFFAOYSA-N

InChI

InChI=1S/C4H7ClO2/c5-3-1-2-4(6)7/h1-3H2,(H,6,7)

Weigh it out

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

Names and synonyms

7 names

Butanoic acid, 4-chloro-
Butyric acid, 4-chloro-
4-Chlorobutyric acid
γ-Chlorobutyric acid
NSC 6391
NSC 76578
4-Chlorobutyrate

Work with 4-Chlorobutanoic acid

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 Isotope patternExact mass and the mass spectrum pattern

Same formula

Ethyl chloroacetate105-39-5 Isopropyl chloroformate108-23-6 Propyl chloroformate109-61-5 2-Ethoxyacetyl chloride14077-58-8 Methyl 2-chloropropionate17639-93-9 2-(Chloromethyl)-1,3-dioxolane2568-30-1 2-Chlorobutanoic acid4170-24-5 (-)-Methyl 2-chloropropionate73246-45-4

Elsewhere

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