Naphthalin-2,6-dicarbonsure
2,6-Naphthalenedicarboxylic acid
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Grundinformationen
- CAS
1141-38-4- Standard-SMILES
O=C(O)c1ccc2cc(C(=O)O)ccc2c1- InChIKey
RXOHFPCZGPKIRD-UHFFFAOYSA-N- Summenformel
- C12H8O4
- Durchschnittliche Molmasse
- 216,19 g/mol
- Monoisotopische Masse
- 216,04225873
Überblick
Naphthalene-2,6-dicarboxylic acid is a dicarboxylic acid. It derives from a hydride of a naphthalene.
Namen und Bezeichner
- Bevorzugter Name
- 2,6-Naphthalenedicarboxylic acid
- IUPAC
- naphthalene-2,6-dicarboxylic acid
- Lokaler Name
- Naphthalin-2,6-dicarbonsure
- Englischer Name
- 2,6-NAPHTHALENEDICARBOXYLIC ACID
- Summenformel
- C12H8O4
- Molmasse
- 216.19
Namen und Synonyme
2,6-Naphthalenedicarboxylic acid1141-38-4naphthalene-2,6-dicarboxylic acid2,6-NAPHTHALIC ACID2,6-DICARBOXYNAPHTHALENEDTXSID5029211K3C4DYZ29ODTXCID009211CHEBI:44460RefChem:445809214-527-0MFCD00004105
Weitere Namen anzeigen
DK7461NSC 96410JACS-1141-38-4TIMTEC-BB SBB008377Adiphenine Impurity 112,6-Naphthalenedioic acid2,6-phthalenedicarboxylic Acid
2,6-napthalenedicarboxylic acidNCIOpen2_0071242,6-Naphthalendicarboxylic acid2,6-naphthalene-dicarboxylic acidNSC-964102,6-Naphthalic Acid||||NSC 96410NAPHTHALENEDICARBOXYLIC ACID, 2,6-2,6-naphthalene dicarboxylic acid
Datenbank-Bezeichner
- CAS
1141-38-4- PubChem CID
- 14357
- DTXSID
DTXSID5029211- ChEMBL
CHEMBL1205452
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 2,8
- Polarare Oberfläche (TPSA)
- 74,6 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 16
- Formalladung
- 0
- Komplexität
- 269
Experimentelle und physikochemische Eigenschaften
DrugsPharmaceuticals -> Listed in ZINC15
Food Contact Substances
FCS -> FDA Cumulative Estimated Daily Intake (CEDI)
FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical DescriptionDry Powder
Physikochemische Eigenschaften
- Schmelzpunkt
- 300 °C · >300 °C (lit.)
- Siedepunkt
- 316.6 °C · 316.6°C (rough estimate)
- Dichte
- 1.5 · 1.5
- Brechungsindex
- 1.708 · 1.7080 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- very faint turbidity in hot Pyridine
- pka
- 3.69 · 3.69±0.30(Predicted)
- Aggregatzustand
- Powder
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 83.3% (15 of 18) of all reports.
Warning
H315 (16.7%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 18 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: 2,6-Naphthalenedicarboxylic acid
2,6-Naphthalenedicarboxylic acid is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2,6-Naphthalenedicarboxylic acid 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)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: Naphthalene-2,6-dicarboxylic acid (EC: 214-527-0)
2,6-Naphthalenedicarboxylic acid: 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.
Hazard Classes and CategoriesSkin Irrit. 2 (16.7%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29173990
- risk_code
- 36/37/38
- hazard_code
- Xi
Chemie und Industrie
Verwendung und Herstellung
U.S. Production2023: <75,000 lb
Consumer UsesMonomers
Industry UsesMonomers
General Manufacturing Information
Plastics Material and Resin Manufacturing
2,6-Naphthalenedicarboxylic acid: ACTIVE
Anwendungen
Verwenden2,6-naphthalenedicarboxylic acid is an important product for the manufacture of high strength and excellent dyeing properties of polyester fibers and F class insulation material, is an important monomer performance PEN, PBN, liquid crystal polymer (LCP) and polyurethane resin pharmaceutical and fine chemicals raw material.
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Vorgelagerte Rohstoffe
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