Ethyl 2,3-dihydro-1,4-benzodioxine-2-carboxylate
Grundinformationen
- CAS
4739-94-0- Standard-SMILES
CCOC(=O)C1COc2ccccc2O1- InChIKey
DDIGEMWIKJMEIU-UHFFFAOYSA-N- Summenformel
- C11H12O4
- Durchschnittliche Molmasse
- 208,21 g/mol
- Monoisotopische Masse
- 208,07355886
Überblick
structure
Namen und Bezeichner
- Bevorzugter Name
- Ethyl 2,3-dihydro-1,4-benzodioxine-2-carboxylate
- IUPAC
- ethyl 2,3-dihydro-1,4-benzodioxine-3-carboxylate
- Englischer Name
- Ethyl 1,4-Benzodioxan-2-carboxylate
- Summenformel
- C11H12O4
- Molmasse
- 208.21
Namen und Synonyme
4739-94-0Ethyl 1,4-benzodioxane-2-carboxylateethyl 2,3-dihydro-1,4-benzodioxine-2-carboxylateDTXSID80963821RefChem:138468DTXCID001391551625-587-6Ethyl 1,4-benzodioxan-2-carboxylateEthyl 2,3-dihydrobenzo[1,4]dioxine-2-carboxylateMFCD010997742,3-Dihydro-benzo[1,4]dioxine-2-carboxylic acid ethyl esterethyl 2,3-dihydrobenzo[b][1,4]dioxine-2-carboxylate
Weitere Namen anzeigen
TIMTEC-BB SBB008613Doxazosin Impurity 162,3-Dihydro-2-Carboethoxy-1,4-Ethyl1,4-Benzodioxane-2-carboxylate>Ethyl 1,4-benzodioxan-2-carboxylate(EBDC)2,3-Dihydro-2-carboethoxy-1, 4-benzodioxane1,4-BENZODIOXAN-2-CARBOXYLIC ACID ETHYL ESTER
Ethyl 2,3-dihydro-1,4-benzodioxin-2-carboxylateethyl 2,3-dihydro-1,4-benzodioxine-3-carboxylate1,4-Benzodioxin-2-carboxylic acid, 2,3-dihydro-, ethyl ester2,3-Dihydro-benzo[1,4]dioxine-2-carboxylic acidethyl ester1,4-Benzodioxin-2,3-dihydro-2-carboxylic acid ethyl esterethyl 2H,3H-benzo[e]1,4-dioxin-2-carboxylateDoxazosin Impurity 22,3-Dihydro-1,4-benzodioxin-2-carboxylic acid ethyl ester
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,1
- Polarare Oberfläche (TPSA)
- 44,8 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 229
Physikochemische Eigenschaften
- Siedepunkt
- 88 · 88-95 °C/0.3 mmHg (lit.)
- Dichte
- 1.208 g/mL · 1.208 g/mL at 25 °C
- Brechungsindex
- 20 · n20/D 1.523
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- Inert atmosphere,Room Temperature
- Aggregatzustand
- clear liquid
- Farbe
- Colorless to Yellow to Orange
- InChI
- InChI=1S/C11H12O4/c1-2-13-11(12)10-7-14-8-5-3-4-6-9(8)15-10/h3-6,10H,2,7H2,1H3
- InChIKey
- DDIGEMWIKJMEIU-UHFFFAOYSA-N
- SMILES
- O1C2=CC=CC=C2OCC1C(OCC)=O
- CAS Datenbank
- 4739 · 4739-94-0(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 2 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory InformationStatus: Active Update: 24-06-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/31273
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Sicherheitsdaten
- wgk
- 2
- hs_code
- 2916399090
- risk_code
- 22
- hazard_code
- Xn
- hazard_class
- IRRITANT
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Acute Tox. 4 Oral
Chemie und Industrie
Anwendungen
Verwenden2,3-Dihydro-1,4-benzodioxin-2-carboxylic Acid Ethyl Ester is an intermediate used to prepare presynaptic α2-adrenoreceptor antagonists and potential antidepressants. It is also used to prepare aminoalkylbenzodioxins as calcium antagonists.
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梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
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