Methylhydrogenterephthalat
Monomethyl terephthalate
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Grundinformationen
- CAS
1679-64-7- Standard-SMILES
COC(=O)c1ccc(C(=O)O)cc1- InChIKey
REIDAMBAPLIATC-UHFFFAOYSA-N- Summenformel
- C9H8O4
- Durchschnittliche Molmasse
- 180,16 g/mol
- Monoisotopische Masse
- 180,04225874
Namen und Bezeichner
- Bevorzugter Name
- Monomethyl terephthalate
- IUPAC
- 4-methoxycarbonylbenzoic acid
- Lokaler Name
- Methylhydrogenterephthalat
- Englischer Name
- mono-Methyl terephthalate
- Summenformel
- C9H8O4
- Molmasse
- 180.16
Namen und Synonyme
1679-64-7Monomethyl terephthalateMethyl terephthalateMethyl hydrogen terephthalateAcetic acid, (4-carboxyphenyl)-Terephthalic acid, monomethyl ester1,4-Benzenedicarboxylic acid, monomethyl esterDTXSID1027425HYDROGEN METHYL TEREPHTHALATENSC-210838G2T5130M28DTXCID107425
Weitere Namen anzeigen
MMTMonomethyLMonomethyl esterTerephthaLTetraphthalic acidRARECHEM AL BE 0109Mono-methyl terephth
1,4-Benzenedicarboxylic acid, 1-methyl esterRefChem:819336216-849-74-(Methoxycarbonyl)benzoic acidMono-methyl terephthalate4-Methoxycarbonylbenzoic acidTerephthalic acid monomethyl esterMFCD00002557
Datenbank-Bezeichner
- CAS
1679-64-7- PubChem CID
- 15513
- DTXSID
DTXSID1027425- ChEMBL
CHEMBL3560150- UNII
- G2T5130M28
- EC Number
- 216-849-7
- Nikkaji
- J570C
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 1,9
- Polarare Oberfläche (TPSA)
- 63,6 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 204
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Other Aromatic Compounds
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Color/FormCRYSTALS FROM DIL ALCOHOL
SolubilitySLIGHTLY SOL IN WATER; SOL IN ALCOHOL, ETHER, BENZENE
Melting Point239 °C
Vapor Pressure0.000184 [mmHg]
Physical DescriptionSolid; [HSDB] Faintly beige powder; [MSDSonline]
Physikochemische Eigenschaften
- Schmelzpunkt
- 220 · 220-223 °C (lit.)
- Siedepunkt
- 232.96 °C · 232.96°C (rough estimate)
- Dichte
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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information1,4-Benzenedicarboxylic acid, monomethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryAn irritant; [MSDSonline] See Dimethyl terephthalate.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheit und Schutzausrüstung
Disposal Methods
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29173980
Chemie und Industrie
Verwendung und Herstellung
Uses
Used to make thermoplastic polyester elastomers; [HSDB]
Methyl terephthalate is produced as an intermediate in the synthesis of dimethyl terephthalate. /Methyl terephthalate/
DuPont produces a thermoplastic polyester elastomer called Hytrel, which is derived from polytetrahydrofuran, 1,4-butanediol, and methyl terephthalate.
General Manufacturing Information1,4-Benzenedicarboxylic acid, 1-methyl ester: ACTIVE
Anwendungen
Verwendenmono-Methyl Terephthalate is used in the synthesis of Hepatits C antiviral activity. Also used in the design and preparation of benzamide derivatives as BRAFV600E inhibitors, which if mutated, can influence malignancies and melanomas.
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