Cholest-5-en-3-β-ylchlorformiat

Cholest-5-en-3-ol (3beta)-, 3-(carbonochloridate)

HCID 111262

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Grundinformationen

CAS: 7144-08-3
Standard-SMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)Cl)CC[C@]4(C)[C@H]3CC[C@]12C
InChIKey: QNEPTKZEXBPDLF-JDTILAPWSA-N
Summenformel: C28H45ClO2
Durchschnittliche Molmasse: 449,1 g/mol
Monoisotopische Masse: 448,31080836

Namen und Bezeichner

Bevorzugter Name: Cholest-5-en-3-ol (3beta)-, 3-(carbonochloridate)
IUPAC: [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] carbonochloridate
Lokaler Name: Cholest-5-en-3-β-ylchlorformiat
Englischer Name: Cholesteryl chloroformate
Summenformel: C28H45ClO2
Molmasse: 449.12

Namen und Synonyme

Cholesteryl chloroformate7144-08-3Cholesterol chloroformateCholesterol, chloroformateCholesteryloxycarbonyl chlorideEINECS 230-447-9NSC 59689Cholest-5-en-3-ol (3beta)-, carbonochloridateCholest-5-en-3-ol (3beta)-, 3-(carbonochloridate)RefChem:576038Cholesterol, chloroformate (8CI)Cholest-5-en-3-ol (3.beta.)-, 3-(carbonochloridate)

Weitere Namen anzeigen

carbonochloridate(3S,8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl carbonochloridateesteryLAcid Cholesterol EsterCholesteryl chloroformate,97%5-CHOLESTEN-3β-OL CHLOROFORMATECholest-5-en-3β-ol chloroformate3β-(Chloroformyloxy)cholest-5-ene

MFCD00003633Chloroformic Acid Cholesterol EsterCholest-5-en-3-ol (3.beta.)-, carbonochloridateCholest-5-ene-3-beta-yl chloroformatecholesterol chlorocarbonate3-Cholesteryl chloroformateSCHEMBL26003Cholesteryl chloroformate, 95%

Datenbank-Bezeichner

CAS: 7144-08-3
PubChem CID: 111262
DTXSID: DTXSID60880724
EC Number: 230-447-9
Nikkaji: J52.263E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 10,2
Polarare Oberfläche (TPSA): 26,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 7
Schwere Atome: 31
Formalladung: 0
Komplexität: 699

Physikochemische Eigenschaften

Schmelzpunkt: 115 · 115-117 °C (lit.)
Siedepunkt: 556.35 °C · 556.35°C (rough estimate)
Dichte: 0.9344 · 0.9344 (rough estimate)
Brechungsindex: 1.533 · 1.5330 (estimate)
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: SLOWLY HYDROLYZED
Aggregatzustand: Crystalline Powder
Farbe: White to off-white
Wasserlöslichkeit: SLOWLY HYDROLYZED
BRN: 3223154 · 3223154
InChIKey: QNEPTKZEXBPDLF-JDTILAPWSA-N
SMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(Cl)=O
CAS Datenbank: 7144 · 7144-08-3(CAS DataBase Reference)
EPA chemische Informationen: -5 · Cholest-5-en-3-ol (3.beta.)-, carbonochloridate (7144-08-3)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 4 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Corr. 1C (100%)

Sicherheitsdaten

F: 10-21
wgk: 3
tsca: TSCA listed
ridadr: UN 3261 8/PG 2
hs_code: 29159020
risk_code: 34
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: II
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Skin Corr. 1B

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationCholest-5-en-3-ol (3.beta.)-, 3-(carbonochloridate): ACTIVE

Anwendungen

VerwendenCholesteryl chloroformate is used in the preparation of hydrophobized chitosan oligosaccharide, which finds application as an efficient gene carrier. It acts as an initiator in the polymerization of methyl methacrylate.