5-(R)-Acetoxy-1-chlorohexane

HCID 11019434

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Grundinformationen

CAS: 154885-34-4
Standard-SMILES: CC(=O)O[C@H](C)CCCCCl
InChIKey: CCAJQWQPQNZYTE-SSDOTTSWSA-N
Summenformel: C8H15ClO2
Durchschnittliche Molmasse: 178,65 g/mol
Monoisotopische Masse: 178,0760574

Namen und Bezeichner

Bevorzugter Name: 5-(R)-Acetoxy-1-chlorohexane
IUPAC: [(2R)-6-chlorohexan-2-yl] acetate
Englischer Name: 5-(R)-Acetoxy-1-chlorohexane 99
Summenformel: C8H15ClO2
Molmasse: 178.66

Namen und Synonyme

5-(R)-Acetoxy-1-chlorohexaneRefChem:5316432-Hexanol, 6-chloro-, acetate, (2R)-624-287-2(R)-5-Acetoxy-1-chlorohexane154885-34-4[(2R)-6-chlorohexan-2-yl] acetate(R)-6-Chlorohexan-2-yl acetate5-(R)-ACETOXY-1-CHLOROHEXANE 99starbld0031138SCHEMBL4705933DTXSID00452080

Weitere Namen anzeigen

5-(R)-Acetoxy-1-chlorohexane 992-Hexanol, 6-chloro-, acetate, (2R)- (9CI)

CCAJQWQPQNZYTE-SSDOTTSWSA-NAKOS025294598(R)-5-Acetoxy-1-chlorohexane, 99%(2R)-6-CHLOROHEXAN-2-YL ACETATE

Datenbank-Bezeichner

CAS: 154885-34-4
PubChem CID: 11019434
DTXSID: DTXSID00452080
EC Number: 624-287-2

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,2
Polarare Oberfläche (TPSA): 26,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 6
Schwere Atome: 11
Formalladung: 0
Komplexität: 115

Physikochemische Eigenschaften

Siedepunkt: 220 °C · 220 °C(lit.)
Dichte: 1.02 g/mL · 1.02 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.4365(lit.)
Flammpunkt: 213 °F · 213 °F

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H351 (100%): Suspected of causing cancer [Warning Carcinogenicity]

P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.