6-Chlorohexanoic acid

C₆H₁₁ClO₂CAS 4224-62-8150.60 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic acid

Properties

Molecular formula: C₆H₁₁ClO₂
Molar mass: 150.60 g/mol
Exact mass: 150.0448 Da
Density: 1.132 g/mL (at 20 °C)
Melting point: 24–26 °C
Boiling point: 116–117 °C (at 1.3 Torr)
logP: 1.87Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 5

Hazards

Danger

H290 May be corrosive to metals40% of notifiers
H314 Causes severe skin burns and eye damage80% of notifiers
H318 Causes serious eye damage40% of notifiers
H335 May cause respiratory irritation20% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P234, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P390, P403+P233, P405, P406, P501

Identifiers

CAS number

4224-62-8

SMILES

O=C(O)CCCCCCl

InChIKey

XWWKSLXUVZVGSP-UHFFFAOYSA-N

InChI

InChI=1S/C6H11ClO2/c7-5-3-1-2-4-6(8)9/h1-5H2,(H,8,9)

Weigh it out

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

Names and synonyms

3 names

Hexanoic acid, 6-chloro-
6-Chlorocaproic acid
ε-Chlorocaproic acid

Work with 6-Chlorohexanoic 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

Similar compounds

5-Chloropentanoic acid1119-46-695 % similar 4-Chlorobutanoic acid627-00-982 % similar Pimelic acid111-16-071 % similar Sebacic acid111-20-671 % similar Azelaic acid123-99-971 % similar Pentadecanedioic acid1460-18-071 % similar Undecanedioic acid1852-04-671 % similar Heptadecanedioic acid2424-90-071 % similar

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

Same formula

tert-Butyl chloroacetate107-59-5 Methyl 5-chloropentanoate14273-86-0 Chloromethyl pivalate18797-19-8 Chloromethyl pivalate18997-19-8 (S)-2-Chloro-4-methyl-N-valeric acid28659-81-6 Ethyl 4-chlorobutyrate3153-36-4 4-(Chloromethyl)-2,2-dimethyl-1,3-dioxolane4362-40-7 (R)-(+)-4-Chloromethyl-2,2-dimethyl-1,3-dioxolane57044-24-3

Elsewhere

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