Methylhydrogenterephthalat

Monomethyl terephthalate

HCID 15513CAS 1679-64-7
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Grundinformationen

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 Struktureigenschaften

XLogP
1,9
Polarare Oberfläche (TPSA)
63,6 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
3
Schwere Atome
13

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]

Physikochemische Eigenschaften

Schmelzpunkt
220 · 220-223 °C (lit.)
Siedepunkt
232.96 °C · 232.96°C (rough estimate)
Dichte
1.1987 · 1.1987 (rough estimate)
Brechungsindex
1.4209 · 1.4209 (estimate)
storage temp.
Sealed in dry,Room Temperature
Löslichkeit
50 mg/mL, · chloroform/methanol: soluble50mg/mL, clear, colorless (1:1)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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 · 1 Eintrag

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
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36-37/39

Chemie und Industrie

Verwendung und Herstellung

Uses · 3 Einträge

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.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]

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