Cas no 121-91-5 (Isophthalic acid)

Isophthalic acid, a key intermediate in the production of polyesters, offers several advantages. It boasts high melting points, excellent thermal stability, and is highly resistant to solvents. These properties make it ideal for applications in the manufacturing of unsaturated polyester resins, paints, and plastics, where its structural integrity and chemical inertness are crucial.
Isophthalic acid structure
Isophthalic acid structure
Product Name:Isophthalic acid
CAS No:121-91-5
MF:C8H6O4
MW:166.130842685699
MDL:MFCD00002516
CID:36018
PubChem ID:8496
Update Time:2025-08-28

Isophthalic acid Chemical and Physical Properties

Names and Identifiers

    • Isophthalic acid
    • RARECHEM AL BO 0036
    • M-PHTHALIC ACID
    • 1,3-dicarboxybenzene
    • 1,3-phthalicacid
    • Acide isophtalique
    • acideisophtalique(french)
    • isophthalate
    • Isophthalic acid (IPA)
    • Isophthalic acidneat
    • Iso-phthalic Acid
    • 1,3-benzenedicarboxylic acid
    • 2-Carboxyamidotryptamine
    • 5-Carboxamide tryptamine
    • 5-carboxamidotrypamine
    • 5-Carboxamidotryptamine
    • 5-CARBOXAMIDOTRYPTAMINE HEMIETHANOLATE MALEATE SALT
    • 5-CARBOXAMINODOTRYPTAMINE
    • 5-Carboxyamidotryptamine
    • 5-carboxybenzoic acid
    • 5-CAT
    • 5-CT
    • Benzene-1,3-dicarboxylic Acid
    • Benzene-M-dicarboxylic acid
    • IPA
    • isophtalic acid
    • Isophthalic
    • META-PHTHALICACID
    • kyselinaisoftalova
    • IPA)Isophthalic
    • acideisophtalique
    • m-Benzenedicarboxylic acid
    • Kyselina isoftalova
    • Acide isophtalique [French]
    • Kyselina isoftalova [Czech]
    • Isophthalic acid, 99%
    • meta-benzenedicarboxylic acid
    • QQVIHTHCMHWDBS-UHFFFAOYSA-N
    • X35216H9FJ
    • DSSTox_CID_1485
    • DSSTox_RID_76179
    • DSSTox_GSID_21485
    • WLN: QVR CVQ
    • MLS0
    • MDL： MFCD00002516
    • Inchi： 1S/C8H6O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)(H,11,12)
    • InChI Key： QQVIHTHCMHWDBS-UHFFFAOYSA-N
    • SMILES： OC(C1C=C(C(=O)O)C=CC=1)=O
    • BRN： 1909332

Computed Properties

  • Exact Mass: 166.02700
  • Monoisotopic Mass: 166.027
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 179
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • XLogP3: 1.7
  • Topological Polar Surface Area: 74.6

Experimental Properties

  • Color/Form: White crystalline powder or powder crystals
  • Density: 1.54
  • Melting Point: 341-343?°C (lit.)
  • Boiling Point: 214.32°C (rough estimate)
  • Flash Point: 217.3 oC
  • Refractive Index: 1.5100 (estimate)
  • Solubility: 0.12g/l
  • Water Partition Coefficient: 0.01 g/100 mL (25 oC)
  • Stability/Shelf Life: Stable. Incompatible with strong oxidizing agents, strong bases.
  • PSA: 74.60000
  • LogP: 1.08300
  • Sensitiveness: Sensitive to humidity
  • Solubility: It is easily soluble in ethanol, acetone and glacial acetic acid, slightly soluble in boiling water, poorly soluble in cold water, and almost insoluble in benzene and petroleum ether.
  • Merck: 5197
  • pka: 3.54(at 25℃)
  • FEMA: 2947

Isophthalic acid Security Information

  • Prompt：warning
  • Signal Word：Warning
  • Hazard Statement： H316-H320
  • Warning Statement： P264-P305+P351+P338+P337+P313-P332+P313
  • Hazardous Material transportation number：NONH for all modes of transport
  • WGK Germany：2
  • Hazard Category Code： R36/37/38
  • Safety Instruction： S24/25-S36-S26
  • RTECS：NT2007000
  • Hazardous Material Identification： Xi
  • TSCA：Yes
  • Storage Condition：Store at room temperature
  • Risk Phrases：R36/37/38
  • Safety Term：S26;S36

Isophthalic acid Customs Data

  • HS CODE：29173980
  • Customs Data：

    China Customs Code:

    2917391000

    Overview:

    2917391000 Isophthalic acid.Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.Minimum tariff:6.5%.general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Terephthalic acid please specify4-CBAvalue, Terephthalic acid please specifyP-TLacid value, Terephthalic acid please indicate color, Terephthalic acid please indicate moisture

    Summary:

    2917391000 isophthalic acid.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.Lowest tariff:6.5%.General tariff:30.0%

Isophthalic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd.
I19209-500G
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NAN JING HUA XUE SHI JI GU FEN Co., Ltd.
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TI XI AI ( SHANG HAI ) HUA CHENG GONG YE FA ZHAN Co., Ltd.
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TRC
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Isophthalic acid Suppliers

Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:121-91-5)Isophthalic acid
Order Number:sfd7366
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:34
Price ($):discuss personally
Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:121-91-5)Isophthalic acid
Order Number:LE12537;LE7000;LE2467819
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:07
Price ($):discuss personally

Isophthalic acid Spectrogram

GC-MS
GC-MS
1H NMR 300 MHz DMSO
1H NMR
13C NMR
13C NMR

Isophthalic acid Related Literature

Related Categories

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Recommended suppliers
Suzhou Senfeida Chemical Co., Ltd
(CAS:121-91-5)Isophthalic acid
sfd7366
Purity:99.9%
Quantity:200kg
Price ($):Inquiry
Email
Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:121-91-5)Isophthalic acid
LE12537;LE7000;LE2467819
Purity:99%/99%/99%
Quantity:25KG,200KG,1000KG/25KG,200KG,1000KG/25KG,200KG,1000KG
Price ($):Inquiry/Inquiry/Inquiry
Email