5'-Chloro-2'-hydroxypropiophenone

HCID 292114CAS 2892-16-2

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Grundinformationen

Standard-SMILES: CCC(=O)c1cc(Cl)ccc1O
InChIKey: IVNYWGRYCXKHDW-UHFFFAOYSA-N
Summenformel: C9H9ClO2
Durchschnittliche Molmasse: 184,62 g/mol
Monoisotopische Masse: 184,0291072

Namen und Bezeichner

Bevorzugter Name: 5'-Chloro-2'-hydroxypropiophenone
IUPAC: 1-(5-chloro-2-hydroxyphenyl)propan-1-one
Englischer Name: 5'-Chloro-2'-hydroxypropiophenone
Summenformel: C9H9ClO2
Molmasse: 184.62

Namen und Synonyme

5'-chloro-2'-hydroxypropiophenoneDTXSID50303290RefChem:527475DTXCID20254422640-810-72892-16-21-(5-chloro-2-hydroxyphenyl)propan-1-oneMFCD002185791-Propanone, 1-(5-chloro-2-hydroxyphenyl)-1-Propanone,1-(5-chloro-2-hydroxyphenyl)-NSC157733SCHEMBL2070612

Weitere Namen anzeigen

5’-Chloro-2’-hydroxypropiophenone1-(5-chloro-2-hydroxyphenyl)-1-propanoneJRH-01103, 1-(5-Chloro-2-hydroxyphenyl)propan-1-one, 97%

IVNYWGRYCXKHDW-UHFFFAOYSA-NHMS1788F17CAA892165'-chloro-2'-hydroxy-propiophenoneAKOS000299342NSC-157733NS-01659SY129597

Datenbank-Bezeichner

CAS: 2892-16-2
PubChem CID: 292114
DTXSID: DTXSID50303290
EC Number: 640-810-7

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,2
Polarare Oberfläche (TPSA): 37,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 12
Formalladung: 0
Komplexität: 170

Physikochemische Eigenschaften

Schmelzpunkt: 55 · 55-57°C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (66.7%): 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]；H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 3 reports by companies from 3 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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (66.7%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Sicherheitsdaten

hs_code: 2914790090
risk_code: 36/37/38
safety_code: 26-36/37/39

Chemie und Industrie

Darstellung · 1 Eintrag

synthetischePreparation by Fries rearrangement of 4-chlorophenyl propionate without solvent, with titanium tetrachloride at 50° for 3 h (59%) Preparation by acylation of p-chlorophenol with propionic acid in the presence of boron trifluoride in a sealed tube at 150° for 5 h (82%).