2-(2-Chloroethoxy)acetic acid

C₄H₇ClO₃CAS 14869-41-1138.55 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic acid Ether

Properties

Molecular formula: C₄H₇ClO₃
Molar mass: 138.55 g/mol
Exact mass: 138.0084 Da
Density: 1.3296 g/mL (at 20 °C)
Melting point: 32.5–33 °C
Boiling point: 130 °C (at 3.5 Torr)
logP: 0.33Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 4

Hazards

Danger

H314 Causes severe skin burns and eye damage50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

14869-41-1

SMILES

O=C(O)COCCCl

InChIKey

MHXJETVNZPUVEN-UHFFFAOYSA-N

InChI

InChI=1S/C4H7ClO3/c5-1-2-8-3-4(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

5 names

Acetic acid, 2-(2-chloroethoxy)-
Acetic acid, (2-chloroethoxy)-
1-Chloro-2-(carboxymethoxy)ethane
2-Chloroethoxyacetic acid
5-Chloro-3-oxapentanoic acid

Work with 2-(2-Chloroethoxy)acetic 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

2,2′-[1,2-Ethanediylbis(oxy)]bis[acetic acid]23243-68-770 % similar Polyethylene glycol bis(carboxymethyl) ether39927-08-770 % similar 3,6,9-Trioxaundecanedioic acid13887-98-467 % similar Diglycolic acid110-99-661 % similar (2-Methoxyethoxy)acetic acid16024-56-955 % similar (2-(2-Aminoethoxy)ethoxy)acetic acid134978-97-553 % similar (2-(2-Methoxyethoxy)ethoxy)acetic acid16024-58-153 % similar 2,5,8,11-Tetraoxatridecan-13-oic acid16024-60-553 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Methoxyethyl chloroformate628-12-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook