2,3,4-Trimethoxybenzaldehyd
2,3,4-Trimethoxybenzaldehyde
Grundinformationen
- CAS
2103-57-3- Standard-SMILES
COc1ccc(C=O)c(OC)c1OC- InChIKey
UCTUXUGXIFRVGX-UHFFFAOYSA-N- Summenformel
- C10H12O4
- Durchschnittliche Molmasse
- 196,2 g/mol
- Monoisotopische Masse
- 196,07355886
Namen und Bezeichner
- Bevorzugter Name
- 2,3,4-Trimethoxybenzaldehyde
- IUPAC
- 2,3,4-trimethoxybenzaldehyde
- Lokaler Name
- 2,3,4-Trimethoxybenzaldehyd
- Englischer Name
- 2,3,4-Trimethoxybenzaldehyde
- Summenformel
- C10H12O4
- Molmasse
- 196.2
Namen und Synonyme
2,3,4-Trimethoxybenzaldehyde2103-57-3Benzaldehyde, 2,3,4-trimethoxy-7ZY3UK34C4DTXSID6062179EINECS 218-271-0AI3-36670TRIMETAZIDINE DIHYDROCHLORIDE IMPURITY C [EP IMPURITY]TRIMETAZIDINE DIHYDROCHLORIDE IMPURITY C (EP IMPURITY)RefChem:441733Benzaldehyde, 2,3,4trimethoxyDTXCID6036413
Weitere Namen anzeigen
TriMetazidine EP IMpurity-C2,3,4-TMBAKOS BBS-000031742,3,4-TrimethoxybenzaLTrimetazidine Impurity C4-TriMethoxybenzaldehydetrimetazidine impurity11392,3,4-TrimetoxybenzaldehydeTrimetazidine intermediate
218-271-0TrimethoxybenzaldehydeTrimetazidine EP Impurity CMFCD0000331054061-90-4Benzaldehyde, trimethoxy-2,3,4-Trimethoxy-benzaldehydeTrimetazidine Dihydrochloride Imp. C (EP); Trimetazidine Imp. C (EP); 2,3,4-Trimethoxybenzaldehyde; Trimetazidine Dihydrochloride Impurity C; Trimetazidine Impurity C
Datenbank-Bezeichner
- CAS
2103-57-3、54061-90-4- PubChem CID
- 75006
- DTXSID
DTXSID6062179- UNII
- 7ZY3UK34C4
- EC Number
- 218-271-0、258-950-9
- Nikkaji
- J30.711D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,3
- Polarare Oberfläche (TPSA)
- 44,8 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 183
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Benzaldehydes
Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionWhite to off-white powder; [Acros Organics MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 38 · 38-40 °C(lit.)
- Siedepunkt
- 168 · 168-170 °C12 mm Hg(lit.)
- Dichte
- 1.2166 · 1.2166 (rough estimate)
- Brechungsindex
- 20 · n20/D 1.5547(lit.)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- 2 · Inert atmosphere,2-8°C
- Löslichkeit
- 0.1 g/mL, · methanol: 0.1 g/mL, clear
- Aggregatzustand
- Crystals or Crystalline Powder
- Farbe
- White to light yellow
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
This chemical does not meet GHS hazard criteria for 41.7% (5 of 12) of reports.
Warning
H315 (58.3%): 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 12 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Benzaldehyde, 2,3,4-trimethoxy-
Status: Active Update: 09-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/24773
Benzaldehyde, 2,3,4-trimethoxy-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryMay cause irritation; [Acros Organics MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (58.3%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29124900
- risk_code
- 36/37/38-34
- hazard_code
- Xi,C
- hazard_note
- Irritant
- safety_code
- 22-24/25-45-36/37/39-27-26
- Speicherklasse
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationBenzaldehyde, 2,3,4-trimethoxy-: INACTIVE
Anwendungen
Beschreibung2,3,4-Trimethoxybenzaldehyde is a white crystalline powder, and the chemical formula is C 10H 12O 4; the molecular weight is 196.2; the fusing point is 38-40 degrees, and is a kind of important medicine intermediate; it is mainly used in new type drug Ca2+ Synthesizing of channel blocker. The alternative cerebral arteries that are used for this medicine reduce the headache incidence, mainly for the preparation of the intermediate of trimetazidine.
Verwenden2,3,4-Trimethoxybenzaldehyde is a trimethoxylated aromatic aldehyde. 2,3,4-Trimethoxybenzaldehyde is an Impurity of the anti-anginal drug Trimetazidine (T795610).
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