Methyl-4-formylbenzoat
Methyl 4-Formylbenzoate
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Grundinformationen
- CAS
1571-08-0- Standard-SMILES
COC(=O)c1ccc(C=O)cc1- InChIKey
FEIOASZZURHTHB-UHFFFAOYSA-N- Summenformel
- C9H8O3
- Durchschnittliche Molmasse
- 164,16 g/mol
- Monoisotopische Masse
- 164,04734412
Überblick
Methyl-p-formylbenzoate appears as needles (in water) or white powder. (NTP, 1992)
Namen und Bezeichner
- Bevorzugter Name
- Methyl 4-Formylbenzoate
- IUPAC
- methyl 4-formylbenzoate
- Lokaler Name
- Methyl-4-formylbenzoat
- Englischer Name
- Methyl 4-formylbenzoate
- Summenformel
- C9H8O3
- Molmasse
- 164.16
Namen und Synonyme
METHYL 4-FORMYLBENZOATE1571-08-04-CarbomethoxybenzaldehydeMethyl p-formylbenzoateBenzoic acid, 4-formyl-, methyl esterMethyl terephthalaldehydate4-(Methoxycarbonyl)benzaldehydep-Carbomethoxybenzaldehyde4-Formylbenzoic Acid Methyl EsterMethyl-p-formyl benzoateMethyl terephthaldehydateMethyl benzaldehyde-4-carboxylate
Weitere Namen anzeigen
AKOS BBS-00003165TIMTEC-BB SBB008362Methyl 4-formylbenzoOTAVA-BB BB7018801965Mehyl4-FormylbenzoateMethyl-4-formylbenzoat
p-Formylbenzoic acid methyl esterTerephthalaldehydic acid, methyl ester4-Carboxybenzaldehyde methyl ester2-MethoxycarbonylbenzaldehydeHSDB 5842NSC 28459CCRIS 6063DTXSID4025610
Datenbank-Bezeichner
- CAS
1571-08-0- PubChem CID
- 15294
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 1,7
- Polarare Oberfläche (TPSA)
- 43,4 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 169
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Benzaldehydes
Solubilityless than 1 mg/mL at 72 °F (NTP, 1992)
Boiling Point509 °F at 760 mmHg (NTP, 1992)
Melting Point140 to 144 °F (NTP, 1992)
Vapor Pressure0.0099 [mmHg]
Physical Description
Methyl-p-formylbenzoate appears as needles (in water) or white powder. (NTP, 1992)
Other Solid
White solid; [CAMEO] Powder; [MSDSonline]
Physikochemische Eigenschaften
- Schmelzpunkt
- 59 · 59-63 °C (lit.)
- Siedepunkt
- 265 °C · 265 °C (lit.)
- Dichte
- 1 · 1,2 g/cm3
- Brechungsindex
- 1.526 · 1.5260 (estimate)
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 53.3% (8 of 15) of all reports.
Warning
H302 (13.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, 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 15 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Benzoic acid, 4-formyl-, methyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzoic acid, 4-formyl-, methyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 29-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24821
Benzoic acid, 4-formyl-, methyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Fire HazardsFlash point data for this compound are not available. It is probably combustible. (NTP, 1992)
Hazards SummaryMay form peroxides; [CAMEO] An irritant; [MSDSonline]
Reactive GroupAldehydes
Reactivity AlertsPeroxidizable Compound
Reactivity Profile
Chemie und Industrie
Verwendung und Herstellung
Uses
Used to make dimethyl terephthalate; [HSDB]
CHEM INT (UNISOLATED) FOR DIMETHYL TEREPHTHALATE
U.S. Exports
(1979) No Data
(1981) No Data
U.S. Imports
(1979) No Data
(1981) No Data
U.S. Production
2023: 500,000 - <1,000,000 lb
(1977) AT LEAST 4.54X10+8 GRAMS (UNISOLATED)
(1981) No Data
Industry UsesNot Known or Reasonably Ascertainable
Methods of ManufacturingPRODUCED AS AN UNISOLATED INTERMEDIATE IN PROCESS FOR MAKING DIMETHYL TEREPHTHALATE FROM P-XYLENE BY SUCCESSIVE OXIDATIONS & ESTERIFICATIONS
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Benzoic acid, 4-formyl-, methyl ester: ACTIVE
Anwendungen
VerwendenMethyl 4-formylbenzoate is used in the preparation of dimethyl terephthalate. It is also used as an active pharmaceutical ingredient intermediate and fluorescent brightener intermediate.
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