(+)-Epichlorohydrin

C₃H₅ClOCAS 67843-74-792.52 g/mol

Open in Covalent MOL file

Alkyl halide Epoxide Ether

Properties

Molecular formula: C₃H₅ClO
Molar mass: 92.52 g/mol
Exact mass: 92.0029 Da
Boiling point: 116 °C
logP: 0.62Crippen estimate
Polar surface area: 12.5 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1
Stereocentres: Sin SMILES atom order

Hazards

Danger

H226 Flammable liquid and vapor100% of notifiers
H301 Toxic if swallowed100% of notifiers
H311 Toxic in contact with skin100% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H317 May cause an allergic skin reaction100% of notifiers
H318 Causes serious eye damage98.1% of notifiers
H330 Fatal if inhaled98.1% of notifiers
H350 May cause cancer100% of notifiers

Aggregated from 108 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P318, P320, P321, P330, P333+P317, P361+P364, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

67843-74-7

SMILES

ClC[C@@H]1CO1

InChIKey

BRLQWZUYTZBJKN-GSVOUGTGSA-N

InChI

InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2/t3-/m1/s1

Characterization data

Calculated from the structure, in the form journals print them.

[M + H]+

[M + H]+ Calcd for C3H6ClO 93.0102

[M + Na]+

[M + Na]+ Calcd for C3H5ClNaO 114.9921

[M − H]−

[M − H]− Calcd for C3H4ClO 90.9956

Elemental analysis

Anal. Calcd for C3H5ClO: C, 38.95; H, 5.45.

Weigh it out

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

Names and synonyms

12 names

Oxirane, 2-(chloromethyl)-, (2S)-
Oxirane, (chloromethyl)-, (S)-
Oxirane, (chloromethyl)-, (2S)-
(2S)-2-(Chloromethyl)oxirane
(S)-Epichlorohydrin
(S)-(+)-Epichlorohydrin
(S)-1-Chloro-2,3-epoxypropane
(S)-(Chloromethyl)oxirane
2(S)-Epichlorohydrin
(S)-Epichlorhydrin
(+)-2-(Chloromethyl)oxirane
(S)-2-Chloromethyloxirane

Work with (+)-Epichlorohydrin

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(-)-Epichlorohydrin51594-55-9Enantiomer Epichlorohydrin106-89-8Stereo not defined Poly(epichlorohydrin)24969-06-0Stereo not defined

Similar compounds

Epichlorohydrin-α-hydro-ω-hydroxypoly(oxy-1,2-ethanediyl) polymer39443-66-874 % similar Dimethylamine-epichlorohydrin copolymer25988-97-070 % similar Trimethylolpropane-epichlorohydrin copolymer30499-70-852 % similar Sevelamer hydrochloride152751-57-050 % similar 1,2:5,6-Diepoxyhexane1888-89-747 % similar Hydrogenated bisphenol-A epoxy resin30583-72-347 % similar 2-Chloromethyl tetrahydrofuran3003-84-745 % similar Triglycidylglycerol13236-02-744 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Chloroacetone78-95-5 Propionyl chloride79-03-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook