Oxydiethylene chloroformate

C₆H₈Cl₂O₅CAS 106-75-2231.02 g/mol

Open in Covalent MOL file

Acyl halide Ether

Properties

Molecular formula: C₆H₈Cl₂O₅
Molar mass: 231.02 g/mol
Exact mass: 229.9749 Da
Density: 1.35 g/mL (at 27 °C)
Boiling point: 127 °C (at 5 Torr)
Flash point: 146.1 °C (open cup)
logP: 1.75Crippen estimate
Polar surface area: 61.8 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 6

Hazards

Danger

H302 Harmful if swallowedAcute toxicity, oral
H315 Causes skin irritationSkin corrosion/irritation
H318 Causes serious eye damageSerious eye damage/eye irritation
H411 Toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI), via PubChem.

Precautionary statements

P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P332+P317, P362+P364, P391, P501

Identifiers

CAS number

106-75-2

SMILES

O=C(Cl)OCCOCCOC(=O)Cl

InChIKey

XFSAZBKSWGOXRH-UHFFFAOYSA-N

InChI

InChI=1S/C6H8Cl2O5/c7-5(9)12-3-1-11-2-4-13-6(8)10/h1-4H2

Weigh it out

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

Names and synonyms

11 names

Diethylene glycol, bischloroformate
C,C′-(Oxydi-2,1-ethanediyl) dicarbonochloridate
Carbonochloridic acid, C,C′-(oxydi-2,1-ethanediyl) ester
Formic acid, chloro-, oxydiethylene ester
Carbonochloridic acid, oxydi-2,1-ethanediyl ester
Formic acid, chloro-, diester with diethylene glycol
Diethylene glycol, bis(chloroformate)
1,5-Bis[(chlorocarbonyl)oxy]-3-oxapentane
Oxydiethylene bis(chloroformate)
Bis(2-chlorocarbonyloxyethyl)ether
NSC 2346

Work with Oxydiethylene chloroformate

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

C,C′-[1,2-Ethanediylbis(oxy-2,1-ethanediyl)] dicarbonochloridate17134-17-7100 % similar 2-Methoxyethyl chloroformate628-12-663 % similar 2-Chloroethyl chlorocarbonate627-11-261 % similar Propyl chloroformate109-61-558 % similar 3-Chloropropyl chloroformate628-11-556 % similar Butyl chloroformate592-34-754 % similar Chloromethyl chloroformate22128-62-752 % similar Pentyl chloroformate638-41-552 % similar

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

Elsewhere

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