Poly(epichlorohydrin)

C₃H₅ClOCAS 24969-06-092.52 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
Density: 1.315 g/mL (at 25 °C)
Melting point: 115–120 °C
Boiling point: 116.7 °C
Flash point: 31 °C (closed cup)
Water solubility: 60 g/L (20 °C)
logP: 0.62Crippen estimate
Polar surface area: 12.5 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Danger

H226 Flammable liquid and vaporFlammable liquids
H301 Toxic if swallowedAcute toxicity, oral
H311 Toxic in contact with skinAcute toxicity, dermal
H314 Causes severe skin burns and eye damageSkin corrosion/irritation
H317 May cause an allergic skin reactionSensitization, Skin
H331 Toxic if inhaledAcute toxicity, inhalation
H350 May cause cancerCarcinogenicity

Harmonised EU classification (CLP Annex VI, index 603-026-00-6), via PubChem.

Precautionary statements

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

Identifiers

CAS number

24969-06-0

SMILES

ClCC1CO1

InChIKey

BRLQWZUYTZBJKN-UHFFFAOYSA-N

InChI

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

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 and density.

Names and synonyms

13 names · show all

Oxirane, 2-(chloromethyl)-, homopolymer
Propane, 1-chloro-2,3-epoxy-, polymers
Oxirane, (chloromethyl)-, homopolymer
Poly[(chloromethyl)ethylene oxide]
SD 2000
Epichlorohydrin homopolymer
Poly(1-chloro-2,3-epoxypropane)
HX 102
Sumirez KF 1D
Sumirez resin KF 1D
Laproxid E 181
E 181
Epoxychloropropane homopolymer

Work with Poly(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.

(+)-Epichlorohydrin67843-74-7Defined stereoisomer (-)-Epichlorohydrin51594-55-9Defined stereoisomer Epichlorohydrin106-89-8

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