Ethyl 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Grundinformationen
- CAS
40106-13-6- Standard-SMILES
CCOC(=O)c1c(N)sc2c1CCCCC2- InChIKey
XTUHIGALMIGZST-UHFFFAOYSA-N- Summenformel
- C12H17NO2S
- Durchschnittliche Molmasse
- 239,34 g/mol
- Monoisotopische Masse
- 239,09799978
Namen und Bezeichner
- Bevorzugter Name
- Ethyl 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
- IUPAC
- ethyl 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
- Englischer Name
- Ethyl 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
- Summenformel
- C12H17NO2S
- Molmasse
- 239.33
Namen und Synonyme
40106-13-6Ethyl 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylateEthyl 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta(b)thiophene-3-carboxylateY0J6EW5JJ4NSC 158551UNII-Y0J6EW5JJ4NSC-158551DTXSID601931494H-CYCLOHEPTA(B)THIOPHENE-3-CARBOXYLIC ACID, 2-AMINO-5,6,7,8-TETRAHYDRO-, ETHYL ESTER4H-CYCLOHEPTA[B]THIOPHENE-3-CARBOXYLIC ACID, 2-AMINO-5,6,7,8-TETRAHYDRO-, ETHYL ESTERRefChem:138568DTXCID20115640
Weitere Namen anzeigen
AKOS B000702AKOS MSC-0431TIMTEC-BB SBB000785IFLAB-BB F1386-0050ETHYL 2-AMINOCYCLOHEPTA[B]THIOPHENE-3-CARBOXYLATEEthyl 2-aminocyclohepta[b]thiophene-3-carboxylate,99%ethyl 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[d]thiophene-3-carboxylate2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[d]thiophene-3-carboxylic acid ethyl ester
MFCD00216932NSC1585512-Amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl esterethyl 2-amino-4,5,6,7,8-pentahydrocyclohepta[1,2-b]thiophene-3-carboxylateEthyl 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta-[b]thiophene-3-carboxylateethyl 2-amino-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylateXTUHIGALMIGZST-UHFFFAOYSA-NOprea1_346585
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,8
- Polarare Oberfläche (TPSA)
- 80,6 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 16
- Formalladung
- 0
- Komplexität
- 259
Physikochemische Eigenschaften
- Schmelzpunkt
- 89 · 89-90 °C
- Siedepunkt
- 419.4 · 419.4±45.0 °C(Predicted)
- Dichte
- 1.1617 · 1.1617 (rough estimate)
- Brechungsindex
- 1.628 · 1.6280 (estimate)
- storage temp.
- 2 · 2-8°C, protect from light
- Löslichkeit
- Soluble in methanol and ethanol.
- pka
- 0.48 · 0.48±0.20(Predicted)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+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.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- hs_code
- 29349990
- risk_code
- 20/22
- hazard_code
- Xn,Xi
- safety_code
- 22
- hazard_class
- IRRITANT
Chemie und Industrie
Anwendungen
VerwendenIt is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff fields.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
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毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
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上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
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