Naphthalin-1,4-dicarbonsure

1,4-Naphthalenedicarboxylic acid

HCID 69065

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Grundinformationen

CAS: 605-70-9
Standard-SMILES: O=C(O)c1ccc(C(=O)O)c2ccccc12
InChIKey: ABMFBCRYHDZLRD-UHFFFAOYSA-N
Summenformel: C12H8O4
Durchschnittliche Molmasse: 216,19 g/mol
Monoisotopische Masse: 216,04225874

Namen und Bezeichner

Bevorzugter Name: 1,4-Naphthalenedicarboxylic acid
IUPAC: naphthalene-1,4-dicarboxylic acid
Lokaler Name: Naphthalin-1,4-dicarbonsure
Englischer Name: 1,4-Naphthalenedicarboxylic acid
Summenformel: C12H8O4
Molmasse: 216.19

Namen und Synonyme

1,4-Naphthalenedicarboxylic acid605-70-984HFA3F9GPEINECS 210-094-7DTXSID2060545Naphthalene-1,4-dicarboxlic acidRefChem:73363DTXCID5042821210-094-7ABMFBCRYHDZLRD-UHFFFAOYSA-NNaphthalene-1,4-dicarboxylic acidMFCD00014312

Weitere Namen anzeigen

1,4-NAPHTHALIC ACIDDK7269DK74601,4-NaphthaL1,4-naphthalateAdiphenine Impurity 10Naphthalin-1,4-dicarbonsure1, 4 - naphthalene diforMate4-Naphthalenedicarboxylic acid

1,4-NaphthalicacidUNII-84HFA3F9GPnaphthaline-1,4-dicarboxylic acidAKOS015856051CS-W0148561,4-Naphthalenedicarboxylic acid, 94%AC-11690AS-10797

Datenbank-Bezeichner

CAS: 605-70-9
PubChem CID: 69065
DTXSID: DTXSID2060545
UNII: 84HFA3F9GP
EC Number: 210-094-7
Nikkaji: J94.932I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,6
Polarare Oberfläche (TPSA): 74,6 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 2
Schwere Atome: 16
Formalladung: 0
Komplexität: 269

Physikochemische Eigenschaften

Schmelzpunkt: 300 °C · >300 °C (lit.)
Siedepunkt: 490.2 · 490.2±28.0 °C(Predicted)
Dichte: 1.54 g/cm3 · 1.54 g/cm3
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: powder to crystal
pka: 2.71 · 2.71±0.10(Predicted)
Farbe: White to Yellow to Orange
Wasserlöslichkeit: Insoluble in water.
BRN: 2051255 · 2051255
InChI: InChI=1S/C12H8O4/c13-11(14)9-5-6-10(12(15)16)8-4-2-1-3-7(8)9/h1-6H,(H,13,14)(H,15,16)
InChIKey: ABMFBCRYHDZLRD-UHFFFAOYSA-N
SMILES: C1(C(O)=O)=C2C(C=CC=C2)=C(C(O)=O)C=C1
CAS Datenbank: 605 · 605-70-9(CAS DataBase Reference)
EPA chemische Informationen: 1 · 1,4-Naphthalenedicarboxylic acid (605-70-9)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 6.1% (3 of 49) of reports.

Warning

H315 (93.9%): 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 49 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Status: Active Update: 28-05-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/23950

1,4-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 (93.9%)

Sicherheitsdaten

wgk: 1
tsca: TSCA listed
hs_code: 29173990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information1,4-Naphthalenedicarboxylic acid: ACTIVE

Anwendungen · 2 Einträge

Beschreibung1,4-Naphthalenedicarboxylic acid is an important raw material for the production of polyester and other high-performance polymers. These polymers have excellent mechanical properties and thermal stability and are widely used in clothing materials, high-strength container materials and other fields.

VerwendenIt is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.