2',5'-Dimethoxyacetophenon

2',5'-Dimethoxyacetophenone

HCID 70991CAS 1201-38-3
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Grundinformationen

Standard-SMILES
COc1ccc(OC)c(C(C)=O)c1
InChIKey
FAXUIYJKGGUCBO-UHFFFAOYSA-N
Summenformel
C10H12O3
Durchschnittliche Molmasse
180,2 g/mol
Monoisotopische Masse
180,07864424

Namen und Bezeichner

Bevorzugter Name
2',5'-Dimethoxyacetophenone
IUPAC
1-(2,5-dimethoxyphenyl)ethanone
Lokaler Name
2',5'-Dimethoxyacetophenon
Englischer Name
2',5'-Dimethoxyacetophenone
Summenformel
C10H12O3
Molmasse
180.2

Namen und Synonyme

2',5'-Dimethoxyacetophenone1201-38-31-(2,5-Dimethoxyphenyl)ethanoneEthanone, 1-(2,5-dimethoxyphenyl)-Acetophenone, 2',5'-dimethoxy-Y79C66POM1EINECS 214-858-0NSC 62094NSC-62094DTXSID0061618METHYL 2,5-DIMETHOXYPHENYL KETONERefChem:439469
Weitere Namen anzeigen
AKOS BBS-000043262',5'-DimethoxyacetoMethoxamine Impurity 192'5'-Dimethoxyacetopheone2,5-DIMETHOXYACETOPHENONEN2,5-Dimethoxy acetonphenoneMethoxamine Impurity 8 HCl
DTXCID3033561Acetophenone, 2',5'-dimethoxy-(8CI)214-858-02,5-Dimethoxyacetophenone1-(2,5-dimethoxyphenyl)ethan-1-oneMFCD000087281-acetyl-2,5-dimethoxybenzene2-Acetyl-1,4-dimethoxybenzene

Datenbank-Bezeichner

CAS
1201-38-3
PubChem CID
70991
DTXSID
DTXSID0061618
UNII
Y79C66POM1
EC Number
214-858-0
Nikkaji
J80.091K

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,8
Polarare Oberfläche (TPSA)
35,5 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
3
Schwere Atome
13

Experimentelle und physikochemische Eigenschaften

Kovats Retention Index1514.6

Physikochemische Eigenschaften

Schmelzpunkt
18 · 18-20 °C(lit.)
Siedepunkt
155 · 155-158 °C11 mm Hg(lit.)
Dichte
1.139 g/mL · 1.139 g/mL at 25 °C(lit.)
Brechungsindex
20 · n20/D 1.5441(lit.)
Flammpunkt
230 °F · >230 °F
storage temp.
Sealed in dry,Room Temperature

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H412 (66.7%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 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.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 15-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33194
Hazard Classes and CategoriesAcute Tox. 4 (66.7%)；Skin Irrit. 2 (33.3%)；Eye Irrit. 2 (100%)；STOT SE 3 (33.3%)；Aquatic Chronic 3 (66.7%)

Regulatorische Informationen

Regulatory InformationStatus: Active Update: 15-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33194

Sicherheitsdaten

wgk
3
tsca
TSCA listed
hs_code
29145090
hazard_code
Xi
safety_code
24/25
hazard_class
IRRITANT

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationEthanone, 1-(2,5-dimethoxyphenyl)-: INACTIVE
Anwendungen · 2 Einträge

BeschreibungDas 2,5-Dimethoxyacetophenon bildet eine farblose, wasserunlösliche Flüssigkeit. Es ist ein wichtiges Zwischenprodukt für die Darstellung verschiedener psychoaktiver Verbindungen.

Verwenden2',5'-Dimethoxyacetophenone is a useful building block which has been used in the preparation of pyridine and thieno[2,3-b] pyridine derivatives as anticancer PIM-1 kinase inhibitors, and in the synthesis of anti-cancer and apoptosis-inducing agents.

Darstellung

synthetische2',5'-Dimethoxyacetophenone is obtained by reaction of dimethyl sulfate with quinacetophenone in the presence of 10% aqueous sodium hydroxide.

Vor- und nachgelagerte Produkte

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国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

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