Isophthalsure
CID 23461093
Grundinformationen
- CAS
121-91-5- Standard-SMILES
O=C([O-])c1cccc(C(=O)[O-])c1.[H+].[H+]- InChIKey
QQVIHTHCMHWDBS-UHFFFAOYSA-N- Summenformel
- C8H6O4
- Durchschnittliche Molmasse
- 166,13 g/mol
- Monoisotopische Masse
- 166,02660867
Überblick
See also: Isophthalic Acid (preferred); Polyester-5 (tg-38) (monomer of); Iris versicolor root (part of) ... View More ...
Namen und Bezeichner
- Bevorzugter Name
- CID 23461093
- IUPAC
- benzene-1,3-dicarboxylate;hydron
- Lokaler Name
- Isophthalsure
- Englischer Name
- Isophthalic acid
- Summenformel
- C8H6O4
- Molmasse
- 166.13
Namen und Synonyme
SCHEMBL11317807PIA1,3-BENZENEDICARBOXYLIC ACIDIsophthalicisophthalate1,3-dicarboxybenzeneM-PHTHALIC ACID1,3-phthalicacidIsophthalic acid 99%IPA)Isophthalicsophthalic acid
Datenbank-Bezeichner
- CAS
121-91-5- PubChem CID
- 23461093
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 80,3 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 168
Physikochemische Eigenschaften
- Schmelzpunkt
- 341 · 341-343 °C (lit.)
- Siedepunkt
- 214.32 °C · 214.32°C (rough estimate)
- Dichte
- 1 · 1,54 g/cm3
- Dampfdruck
- 0 Pa · 0Pa at 25℃
- Brechungsindex
- 1.51 · 1.5100 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- 0.12 g/l · 0.12g/l
- Aggregatzustand
- Crystalline Powder
- pka
- 3.54 · 3.54(at 25℃)
- Farbe
- White to off-white
- PH
- 3.33 · 3.33(1 mM solution);2.76(10 mM solution);2.24(100 mM solution)
- Wasserlöslichkeit
- 0.01 g/100 · 0.01 g/100 mL (25 ºC)
- Merck
- 14 · 14,5197
- BRN
- 1909332 · 1909332
- Henry's Law Constant
- 4 · 4.0×109 mol/(m3Pa) at 25℃, Yaws (2003)
- Dielectric constant
- 1.4 · 1.4(Ambient)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- hs_code
- 29173980
- RTECS-Nr.
- NT2007000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 24/25-36-26
- Speicherklasse
- 13 - Non Combustible Solids
- Giftige Stoffe Daten
- 121-91-5(Hazardous Substances Data)
- Selbstentzündungstemperatur
- 1198 °F
Chemie und Industrie
Anwendungen
BeschreibungIsophthalic acid is an organic compound with the formula C6H4(CO2H)2. This colourless solid is an isomer of phthalic acid and terephthalic acid. These aromatic dicarboxylic acids are used as precursors (in form of acyl chlorides) to commercially important polymers, e.g. the fire-resistant material Nomex. Mixed with terephthalic acid, iso phthalic acid is used in the production of resins for drink bottles. The high-performance polymer poly benzimidazole is produced from iso phthalic acid.
VerwendenPurified Isophthalic Acid (PIA) is mainly used as intermediate for high performance UPR, resins for coatings, high solids paints, gel coats, modifier of PET for bottles. Product Data Sheet
Darstellung
synthetischeIso phthalic acid is produced on the billion kilogram per year scale by oxidizing meta-xylene using oxygen . The process employs a cobalt-manganese catalyst. In the laboratory, chromic acid can be used as the oxidant. It also arises by fusing potassium meta-sulpho benzoate , or meta - brom benzoate with potassium formate (terephthalic acid is also formed in the last case). The barium salt (as its hexa hydrate) is very soluble (a distinction between phthalic and terephthalic acids). Uvitic acid, 5- methylisophthalic acid, is obtained by oxidizing mesitylene or by condensing pyroracemic acid with baryta water.
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