(+)-Epichlorohydrin (HCID 149428)

Überblick

(S)-epichlorohydrin is an epichlorohydrin. It is functionally related to a (R)-1,2-epoxypropane. It is an enantiomer of a (R)-epichlorohydrin.

Namen und Bezeichner

Bevorzugter Name: (+)-Epichlorohydrin
IUPAC: (2S)-2-(chloromethyl)oxirane
Englischer Name: (S)-(+)-Epichlorohydrin
Summenformel: C3H5ClO
Molmasse: 92.52

Namen und Synonyme

67843-74-7(S)-(Chloromethyl)oxiraneEpichlorohydrin, (+)-(+)-epichlorohydrinSCR89B4R6ORefChem:590915(S)-Epichlorohydrin(S)-(+)-Epichlorohydrin(2S)-2-(chloromethyl)oxirane(S)-2-(Chloromethyl)oxiraneOxirane, (chloromethyl)-, (2S)-MFCD00077760

Weitere Namen anzeigen

2-(Chloromethyl)oxiraneEPICHLOROHYDRINEEPICHLORHYDRINALPHA-EPICHLOROHYDRIN2,3-EPOXYPROPYL CHLORIDEAKOS BBS-00004288D-epichlorohydrin(S)-Epichlorhydrin

(S)-1-Chloro-2,3-epoxypropane(2S)-(+)-3-Chloro-1,2-propenoxideC3H5ClOs-epichlorohydrin(S)-3-Chloropropylene Oxide(S)-(+)-Epichlorohydrin, 98%CCRIS 63882-(Chloromethyl)oxirane #

Datenbank-Bezeichner

CAS: 67843-74-7
PubChem CID: 149428
DTXSID: DTXSID3045801
ChEBI: CHEBI:37145
UNII: SCR89B4R6O
EC Number: 482-080-0、614-150-5
Nikkaji: J146.651H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,5
Polarare Oberfläche (TPSA): 12,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 5
Formalladung: 0
Komplexität: 37,9

Experimentelle und physikochemische Eigenschaften

DrugsPharmaceuticals -> Listed in ZINC15

Physikochemische Eigenschaften

Schmelzpunkt: 57 °C · −57 °C(lit.)
Siedepunkt: 92 · 92-93 °C360 mm Hg(lit.)
Dichte: 1.183 g/mL · 1.183 g/mL at 25 °C(lit.)
Dampfdichte: 3.2 · 3.2 (vs air)
Dampfdruck: 13.8 mm · 13.8 mm Hg ( 21.1 °C)
Brechungsindex: 20 · n20/D 1.438(lit.)
Flammpunkt: 93 °F · 93 °F
storage temp.: 2 · Inert atmosphere,2-8°C
Löslichkeit: Chloroform, Methanol (Slightly)
Aggregatzustand: Liquid
Farbe: Clear colorless to very pale yellow
Explosionsgrenze: 21 % · 21%
Wasserlöslichkeit: insoluble
BRN: 1420784 · 1420784
Dielectric constant: 22.9 · 22.9(20℃)
InChI: 1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2/t3-/m1/s1
InChIKey: BRLQWZUYTZBJKN-GSVOUGTGSA-N
SMILES: ClC[C@@H]1CO1
CAS Datenbank: 67843 · 67843-74-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

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, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 108 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H226 (98.4%): Flammable liquid and vapor [Warning Flammable liquids]

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 11-04-2011 https://echa.europa.eu/registration-dossier/-/registered-dossier/4669

Hazard Classes and Categories · 2 Einträge

Flam. Liq. 3 (98.4%)

Flam. Liq. 3 (100%)

Sicherheitsdaten

wgk: 3
ridadr: UN 2023 6.1/PG 2
hs_code: 29038900
RTECS-Nr.: TX4900000
risk_code: 45-10-23/24/25-34-43
hazard_code: T
safety_code: 53-45
hazard_class: 6.1
packing_group: II
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralCarc. 1BEye Dam. 1Flam. Liq. 3Skin Corr. 1BSkin Sens. 1
Selbstentzündungstemperatur: 1421 °F

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden(S)-(+)-Epichlorohydrin is utilized for the synthesis of macquarimicins and hydroxyisoxazolidines and (+)-cis-sylvaticin, which is a potential antitumor agent. It is used to synthesize inhibitors of fatty acid oxidation as potential metabolic modulators. It acts as a solvent for natural and synthetic resins, gums, cellulose esters and ethers, paints, varnishes, nail enamels, lacquers and cement for celluloid. It is also used as a stabilizer and also useful as a bifunctional alkylating agent with the potential to form DNA cross-links.