2-Chloro-1-(2,4-dihydroxyphenyl)ethan-1-one

2-chloro-1-(2,4-dihydroxyphenyl)ethan-1-one · Adrenaline Impurity 8 · Isoproterenol Impurity 4 · Isoprenaline Impurity 29 · 2,4-Dihydroxyphenacyl chloride · 2-chloro-2-4-dihydroxyacetophenone · Epinephrine /Adrenaline Impurity 56 · 2-Chloro-2',4'-dihydroxyacetophenone

https://huagongshe.com/de/chemical/2384686

Molekülstruktur von 2-Chloro-1-(2,4-dihydroxyphenyl)ethan-1-one

Identifikatoren & physikalische Daten

CAS No.	25015-92-3
Summenformel	C8H7ClO3
Durchschnittliche Molmasse	186,59 g/mol
Monoisotopische Masse	186,00837176 g/mol
SMILES	O=C(CCl)c1ccc(O)cc1O
InChIKey	PKYLMJSVVVYYRS-UHFFFAOYSA-N
PubChem CID	2384686
EC No.	891-069-3
DTXSID	DTXSID80368377

Chemische & physikalische Eigenschaften

XLogP	2,3
Polarare Oberfläche (TPSA)	57,5
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	2
Schwere Atome	12
Formalladung	0
Komplexität	172
Schmelzpunkt	130-132 ºC
Siedepunkt	366.4±11.0 °C(Predicted)
Dichte	1.444
pKa (Säurekonstante)	7.31±0.35(Predicted)
InChI	InChI=1S/C8H7ClO3/c9-4-8(12)6-2-1-5(10)3-7(6)11/h1-3,10-11H,4H2
InChIKey	PKYLMJSVVVYYRS-UHFFFAOYSA-N
SMILES	C(=O)(C1=CC=C(O)C=C1O)CCl

Sicherheit & Vorschriften

GHS-Einstufung	DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (100%)
Alarmwort	Warnung
Gefahrenhinweise	Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302