Basic information
- CAS
744-45-6- Standard SMILES
O=C(Oc1ccccc1)c1cccc(C(=O)Oc2ccccc2)c1- InChIKey
FHESUNXRPBHDQM-UHFFFAOYSA-N- Molecular formula
- C20H14O4
- Average molar mass
- 318.3 g/mol
- Monoisotopic mass
- 318.08920892
Names & identifiers
- Preferred name
- Diphenyl isophthalate
- IUPAC
- diphenyl benzene-1,3-dicarboxylate
- English name
- Diphenyl isophthalate
- Molecular formula
- C20H14O4
- Molecular weight
- 318.32
Names & synonyms
Diphenyl isophthalate744-45-6Diphenyl m-phthalate1,3-Benzenedicarboxylic acid, diphenyl esterIsophthalic acid, diphenyl esterDTXSID8037752WH4W31QIJ8EINECS 212-014-6NSC 16430NSC-16430NSC-6316221,3-Benzenedicarboxylic acid, 1,3-diphenyl ester
Show more names
Isophthalic acDiphenylm-phthalatediphenyl-3-phthalateDiphenyl IsophtalateDiphenyl-m-phthalateDiphenyl 1,3-phthalateDiphenylIsophthalate>Diphenyl isophthalate,99%
DTXCID6017752DIPHENYL 1,3-BENZENEDICARBOXYLATEDiphenyl mphthalateRefChem:588831Isophthalic acid, diphenyl ester (8CI)1,3Benzenedicarboxylic acid, diphenyl ester1,3Benzenedicarboxylic acid, 1,3diphenyl ester212-014-6
Database identifiers
- CAS
744-45-6- PubChem CID
- 69779
- DTXSID
DTXSID8037752- ChEMBL
CHEMBL1879622- UNII
- WH4W31QIJ8
- EC Number
- 212-014-6
- Nikkaji
- J193.110E
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 383
Experimental & physicochemical properties
PolymersPlastics & Rubber -> Phthalate Esters
SpringerMaterials PropertiesChemical structure
Physical Description
Dry Powder
White to off-white powder; [Acros Organics MSDS]
Physicochemical properties
- Melting point
- 136 · 136-138 °C (lit.)
- Boiling point
- 275 °C · 275 °C (10 mmHg)
- Density
- 1 · 1,2 g/cm3
- refractive index
- 1.54 · 1.5400 (estimate)
- Flash point
- 223 °C · 223 °C
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to crystal
- color
- White to Almost white
- Water Solubility
- insoluble
- InChI
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 60% (3 of 5) of all reports.
Warning
H315 (40%): Causes skin irritation [Warning Skin corrosion/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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
1,3-Benzenedicarboxylic acid, 1,3-diphenyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Benzenedicarboxylic acid, 1,3-diphenyl ester 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)
Hazards SummaryMay cause irritation; [Acros Organics MSDS] See PHTHALATE ESTERS.
Hazard Classes and CategoriesSkin Irrit. 2 (40%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29173990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 231,595 lb
Consumer UsesMonomers
General Manufacturing Information1,3-Benzenedicarboxylic acid, 1,3-diphenyl ester: ACTIVE
Applications
UsesDiphenyl isophthalate may be employed for the preparation of:poly(benzoxazole) (PBO) precursor, poly(o-hydroxyamide)3[4″-hydroxybenzoyl)-4′-hydroxybenzophenonepoly(o-hydroxyamide), via polycondensation of 2,2-bis(3-amino-4-hydroxyphenyl)hexafluoropropane in 1-methyl-2-pyrrolidinone
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Related reactions
5 records
Compound notes
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