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Grundinformationen
- CAS
40101-17-5- Standard-SMILES
COc1cccc(C(=O)C(=O)c2cccc(OC)c2)c1- InChIKey
PJGXOGKIVAJFTE-UHFFFAOYSA-N- Summenformel
- C16H14O4
- Durchschnittliche Molmasse
- 270,28 g/mol
- Monoisotopische Masse
- 270,08920892
Namen und Bezeichner
- Bevorzugter Name
- 1,2-Ethanedione, 1,2-bis(3-methoxyphenyl)-
- IUPAC
- 1,2-bis(3-methoxyphenyl)ethane-1,2-dione
- Lokaler Name
- Bis(3-methoxyphenyl)ethandion
- Englischer Name
- 3,3'-Dimethoxybenzil
- Summenformel
- C16H14O4
- Molmasse
- 270.28
Namen und Synonyme
3,3'-DimethoxybenzilBis(3-methoxyphenyl)ethanedioneEINECS 254-793-51,2-Ethanedione, 1,2-bis(3-methoxyphenyl)-RefChem:412056254-793-540101-17-51,2-bis(3-methoxyphenyl)ethane-1,2-dioneEthanedione, bis(3-methoxyphenyl)-MFCD00038221bis(3-methoxyphenyl)ethane-1,2-dionem-Anisil
Weitere Namen anzeigen
3,3′-Dimethoxybenzil3,3-Dimethoxydibenzoyl3,3'-Dimethoxybenzil 99%3,3''-DIMETHOXYBENZIL, 99+%Bis(3-methoxyphenyl) diketone3,3'-Dimethoxybibenzyl-α,β-dione3,3′-Dimethoxybenzil, CAS 40101-17-5
3,3 inverted exclamation marka-DimethoxybenzilBenzil-based compound, 223,3'-Dimethoxybenzil, 99%CHEMBL435109SCHEMBL2156482DTXSID7068213SCHEMBL29610859BDBM22744
Datenbank-Bezeichner
- CAS
40101-17-5
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 3,3
- Polarare Oberfläche (TPSA)
- 52,6 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 20
- Formalladung
- 0
- Komplexität
- 318
Physikochemische Eigenschaften
- Schmelzpunkt
- 82 · 82-84 °C(lit.)
- Siedepunkt
- 442.2 · 442.2±30.0 °C(Predicted)
- Dichte
- 1.183 · 1.183±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- Wasserlöslichkeit
- Insoluble in water.
- BRN
- 2382124 · 2382124
- InChI
- 1S/C16H14O4/c1-19-13-7-3-5-11(9-13)15(17)16(18)12-6-4-8-14(10-12)20-2/h3-10H,1-2H3
- InChIKey
- PJGXOGKIVAJFTE-UHFFFAOYSA-N
- SMILES
- COc1cccc(c1)C(=O)C(=O)c2cccc(OC)c2
- EPA chemische Informationen
- Ethanedione, bis(3-methoxyphenyl)- (40101-17-5)
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]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 39 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
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37/39
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information1,2-Ethanedione, 1,2-bis(3-methoxyphenyl)-: INACTIVE
Anwendungen
Verwenden3,3'-Dimethoxybenzil used in the preparation of benzil derivatives. It is also used as an intermediate in organic synthesis and pharmaceuticals.
Anbieter45 Anbieter
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海策嵘生物科技有限公司[email protected]
济南百隆化学有限公司[email protected] · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
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