Grundinformationen
- 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
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
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
1141-38-4- PubChem CID
- 14357
- DTXSID
DTXSID5029211- ChEMBL
CHEMBL1205452- ChEBI
CHEBI:44460- UNII
- K3C4DYZ29O
- EC Number
- 214-527-0
- Nikkaji
- J40.510H
Eigenschaften
Berechnete Struktureigenschaften
- 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
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
- Farbe
- white
- Wasserlöslichkeit
- 3 μg/L · 3μg/L at 20℃
- BRN
- 2051257 · 2051257
- InChI
- InChI=1S/C12H8O4/c13-11(14)9-3-1-7-5-10(12(15)16)4-2-8(7)6-9/h1-6H,(H,13,14)(H,15,16)
- InChIKey
- RXOHFPCZGPKIRD-UHFFFAOYSA-N
- SMILES
- C1=C2C(C=C(C(O)=O)C=C2)=CC=C1C(O)=O
- LogP
- 2.22 · 2.22
- CAS Datenbank
- 1141 · 1141-38-4(CAS DataBase Reference)
- EPA chemische Informationen
- 2 · 2,6-Naphthalenedicarboxylic acid (1141-38-4)
Sicherheit und Regulatorisches
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];H319 (16.7%): Causes serious eye irritation [Warning Serious eye damage/eye 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.;Reported as not meeting GHS hazard criteria per 15 of 18 reports by companies.;There are 2 notifications provided by 3 of 18 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Regulatory Information
Chemical: 2,6-Naphthalenedicarboxylic acid;Specific Information Requirement: Obligations to provide information apply. You must tell us within 28 days if the circumstances of your importation or manufacture (introduction) are different to those in our assessment.
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.
Status: Active Update: 12-01-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/26701
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.
Regulatorische Informationen
Regulatory Information
Chemical: 2,6-Naphthalenedicarboxylic acid;Specific Information Requirement: Obligations to provide information apply. You must tell us within 28 days if the circumstances of your importation or manufacture (introduction) are different to those in our assessment.
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.
Status: Active Update: 12-01-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/26701
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.
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29173990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 24/25
- hazard_class
- IRRITANT
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Verwendung und Herstellung
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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