ChemicalBook--->CAS DataBase List--->121-91-5

121-91-5

121-91-5 Structure

121-91-5 Structure
IdentificationMore
[Name]

Isophthalic acid
[CAS]

121-91-5
[Synonyms]

1,3-BENZENEDICARBOXYLIC ACID
1,3-PHENYL DICARBOXYLIC ACID
ISOPHTHALIC ACID
M-PHTHALIC ACID
RARECHEM AL BO 0036
1,3-dicarboxybenzene
1,3-phthalicacid
Acide isophtalique
acideisophtalique
acideisophtalique(french)
isophthalate
Kyselina isoftalova
kyselinaisoftalova
kyselinaisoftalova(czech)
m-Benzenedicarboxylic acid
m-benzenedicarboxylicacid
m-Dicarboxybenzene
Isophthalic Acid/Benzene-1,3-dicarboxylic acid(IPA)
IsophthalicAcidForSynthesis
ISOPHTHALIC ACID (M-PHTHALIC ACID )
[EINECS(EC#)]

204-506-4
[Molecular Formula]

C8H6O4
[MDL Number]

MFCD00002516
[Molecular Weight]

166.13
[MOL File]

121-91-5.mol
Chemical PropertiesBack Directory
[Appearance]

whitetolightyellowcrytalpowe
[Melting point ]

341-343 °C (lit.)
[Boiling point ]

214.32°C (rough estimate)
[density ]

1,54 g/cm3
[vapor pressure ]

0Pa at 25℃
[refractive index ]

1.5100 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

0.12g/l
[form ]

Crystalline Powder
[pka]

3.54(at 25℃)
[color ]

White to off-white
[PH]

3.33(1 mM solution);2.76(10 mM solution);2.24(100 mM solution)
[Stability:]

Stable. Incompatible with strong oxidizing agents, strong bases.
[Water Solubility ]

0.01 g/100 mL (25 ºC)
[Usage]

Purified 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
[Merck ]

14,5197
[BRN ]

1909332
[Dielectric constant]

1.4(Ambient)
[InChIKey]

QQVIHTHCMHWDBS-UHFFFAOYSA-N
[LogP]

1.66 at 25℃
[CAS DataBase Reference]

121-91-5(CAS DataBase Reference)
[NIST Chemistry Reference]

1,3-Benzenedicarboxylic acid(121-91-5)
[EPA Substance Registry System]

121-91-5(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[WGK Germany ]

2
[RTECS ]

NT2007000
[Autoignition Temperature]

1198 °F
[TSCA ]

Yes
[HS Code ]

29173980
[Hazardous Substances Data]

121-91-5(Hazardous Substances Data)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Acetic acid-->Potassium permanganate-->m-Xylene-->Cobalt acetate-->1,3-Dicyanobenzene-->MANGANESE(II) ACETATE TETRAHYDRATE-->Methyl 3-bromobenzoate-->3-Carboxybenzaldehyde
[Preparation Products]

1,3-Dicyanobenzene-->2-Iodoxybenzoic acid-->Sodium dimethyl 5-sulphonatoisophthalate-->2,6-Dicyano-4-Nitroaniline-->Dimethyl isophthalate-->2,4,5-Trifluorobenzoic acid-->5-AMINO-N-METHYLISOPHTHALAMIC ACID-->5-Nitroisophthalic acid-->5-Amino-2,4,6-triiodo-N-methylisophthalamic Acid-->DIETHYL ISOPHTHALATE-->polyester fibre coloring modifier-->DIMETHYL 5-BROMOISOPHTHALATE-->Biphenyl-3,4′,5-tricarboxylic acid-->cis-1,3-cyclohexanedicarboxylic acid
Hazard InformationBack Directory
[General Description]

White solid with a slight unpleasant odor. Sinks in water.
[Reactivity Profile]

ISOPHTHALIC ACID(121-91-5) is a carboxylic acid. Carboxylic acids donate hydrogen ions if a base is present to accept them. They react in this way with all bases, both organic (for example, the amines) and inorganic. Their reactions with bases, called "neutralizations", are accompanied by the evolution of substantial amounts of heat. Neutralization between an acid and a base produces water plus a salt. Carboxylic acids with six or fewer carbon atoms are freely or moderately soluble in water; those with more than six carbons are slightly soluble in water. Soluble carboxylic acid dissociate to an extent in water to yield hydrogen ions. The pH of solutions of carboxylic acids is therefore less than 7.0. Many insoluble carboxylic acids react rapidly with aqueous solutions containing a chemical base and dissolve as the neutralization generates a soluble salt. Carboxylic acids in aqueous solution and liquid or molten carboxylic acids can react with active metals to form gaseous hydrogen and a metal salt. Such reactions occur in principle for solid carboxylic acids as well, but are slow if the solid acid remains dry. Even "insoluble" carboxylic acids may absorb enough water from the air and dissolve sufficiently in ISOPHTHALIC ACID(121-91-5) to corrode or dissolve iron, steel, and aluminum parts and containers. Carboxylic acids, like other acids, react with cyanide salts to generate gaseous hydrogen cyanide. The reaction is slower for dry, solid carboxylic acids. Insoluble carboxylic acids react with solutions of cyanides to cause the release of gaseous hydrogen cyanide. Flammable and/or toxic gases and heat are generated by the reaction of carboxylic acids with diazo compounds, dithiocarbamates, isocyanates, mercaptans, nitrides, and sulfides. Carboxylic acids, especially in aqueous solution, also react with sulfites, nitrites, thiosulfates (to give H2S and SO3), dithionites (SO2), to generate flammable and/or toxic gases and heat. Their reaction with carbonates and bicarbonates generates a harmless gas (carbon dioxide) but still heat. Like other organic compounds, carboxylic acids can be oxidized by strong oxidizing agents and reduced by strong reducing agents. These reactions generate heat. A wide variety of products is possible. Like other acids, carboxylic acids may initiate polymerization reactions; like other acids, they often catalyze (increase the rate of) chemical reactions.
[Air & Water Reactions]

Dust forms explosive mixture in air [USCG, 1999].
[Health Hazard]

May cause slight to moderate irritation of eyes, skin, and mucous membranes on prolonged contact. Ingestion may cause gastrointestinal irritation.
[Fire Hazard]

Behavior in Fire: Dust forms explosive mixture in air.
[Description]

Isophthalic 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.
[Chemical Properties]

Isophthalic acid is a white crystalline powder or needle-like crystals and it’s an isomer of phthalic acid and terephthalic acid.It is insoluble in cold water but soluble in oxygenated solvents and alcohol. It is combustible and finely dispersed particles will form explosive mixtures in air.
Isophthalic acid
Isophthalic Acid (PIA)  is mainly used in the production of bottle PET, also used in the production of alkyd resin, polyester resin, also used in the production of photosensitive materials, pharmaceutical intermediates and so on.
One of the largest applications for PIA is in unsaturated polyester resins for high-quality gel coats. The hardness, stain and detergent resistance characteristics of PIA are ideal for polyester solid-surface countertops that are an inexpensive alternative to acrylics.
[Uses]

Purified 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
[Definition]

ChEBI: A benzenedicarboxylic acid that is benzene substituted by carboxy groups at position 1 and 3. One of three possible isomers of benzenedicarboxylic acid, the others being phthalic and terephthalic acids.
[Preparation]

Iso 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.
[Synthesis Reference(s)]

Journal of the American Chemical Society, 82, p. 1911, 1960 DOI: 10.1021/ja01493a020
[Flammability and Explosibility]

Nonflammable
[Purification Methods]

Crystallise the acid from aqueous EtOH. [Beilstein 9 IV 3292.]
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

1,3-Benzenedicarboxylic acid(121-91-5).msds
Spectrum DetailBack Directory
[Spectrum Detail]

Isophthalic acid(121-91-5)MS
Isophthalic acid(121-91-5)1HNMR
Isophthalic acid(121-91-5)13CNMR
Isophthalic acid(121-91-5)IR1
Isophthalic acid(121-91-5)IR2
Isophthalic acid(121-91-5)Raman
Isophthalic acid(121-91-5)ESR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Isophthalic acid, 99%(121-91-5)
[Alfa Aesar]

Isophthalic acid, 99%(121-91-5)
[Sigma Aldrich]

121-91-5(sigmaaldrich)
[TCI AMERICA]

Isophthalic Acid,>99.0%(GC)(T)(121-91-5)
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