1,2-Phenylenediacetic acid

Base Information

Chemical Name:1,2-Phenylenediacetic acid
CAS No.:7500-53-0
Molecular Formula:C10H10O4
Molecular Weight:194.187
Hs Code.:29173990
European Community (EC) Number:231-355-1
NSC Number:401681
DSSTox Substance ID:DTXSID40225957
Nikkaji Number:J1.855D
Wikidata:Q72501726
ChEMBL ID:CHEMBL347735
Mol file:7500-53-0.mol

Synonyms:1,2-Phenylenediacetic acid;7500-53-0;2,2'-(1,2-Phenylene)diacetic acid;o-Phenylenediacetic acid;2-[2-(carboxymethyl)phenyl]acetic acid;o-Benzenediacetic acid;1,2-BENZENEDIACETIC ACID;EINECS 231-355-1;MFCD00004329;cobaltoctoate;phenylenediacetic acid;o-phenylene-diacetic acid;ortho-phenylenediacetic acid;1,2-phenylene diacetic acid;1.2-phenylene diacetic acid;SCHEMBL30359;CHEMBL347735;MMEDJBFVJUFIDD-UHFFFAOYSA-;DTXSID40225957;1,2-Phenylenediacetic acid, 99%;2,2'-(1,2-Phenylene)diaceticacid;NSC401681;(2-Carboxymethyl-phenyl)-acetic acid;AKOS015915085;CS-W008103;NSC 401681;NSC-401681;PB48771;2,2''-(1,2-Phenylene)diacetic acid;AC-22736;DS-14576;SY012992;AM20041112;BB 0258809;FT-0606479;FT-0606739;P1052;A24730;EN300-114928;P10009;2-Phenylenediacetic acid;W-104400

Suppliers and Price of 1,2-Phenylenediacetic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
1,2-Phenylenediacetic acid
5g
$ 75.00

TCI Chemical
1,2-Phenylenediacetic Acid >98.0%(HPLC)(T)
5g
$ 30.00

Sigma-Aldrich
1,2-Phenylenediacetic acid 99%
5g
$ 52.80

Frontier Specialty Chemicals
1,2-Phenylenediacetic acid
25g
$ 133.00

Frontier Specialty Chemicals
1,2-Phenylenediacetic acid
5g
$ 32.00

Crysdot
2,2'-(1,2-Phenylene)diaceticacid 98%
100g
$ 212.00

Chemenu
2,2''-(1,2-Phenylene)diaceticacid 95+%
100g
$ 196.00

American Custom Chemicals Corporation
1,2-PHENYLENEDIACETIC ACID 95.00%
5G
$ 822.61

Alfa Aesar
1,2-Phenylenediacetic acid, 98+%
5g
$ 32.00

Alfa Aesar
1,2-Phenylenediacetic acid, 98+%
25g
$ 130.00

Total 79 raw suppliers

Chemical Property of 1,2-Phenylenediacetic acid

Chemical Property:

Appearance/Colour:beige to beige-brown needle-like crystalline
Vapor Pressure:3.59E-07mmHg at 25°C
Melting Point:150-152 °C(lit.)
Refractive Index:1.5430 (estimate)
Boiling Point:401.6 °C at 760 mmHg
PKA:3.90±0.10(Predicted)
Flash Point:210.9 °C
PSA：74.60000
Density:1.345 g/cm³
LogP:0.94080
Storage Temp.:Sealed in dry,Room Temperature
XLogP3:1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:194.05790880
Heavy Atom Count:14
Complexity:200

Purity/Quality:

99%, ^*data from raw suppliers

1,2-Phenylenediacetic acid ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:C1=CC=C(C(=C1)CC(=O)O)CC(=O)O
Uses 1,2-Phenylenediacetic Acid has been used in the preparation of nanomolar inhibitors of cancer-relevant transcription factor STAT5b.

Technology Process of 1,2-Phenylenediacetic acid

There total 17 articles about 1,2-Phenylenediacetic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 56.0%

: 613-73-0
1,2-phenylenediacetonitrile

: 7500-53-0
1,2-Phenylenediacetic acid

Guidance literature:: With hydrogenchloride; water; Reflux;

Reference yield:

: 7664-93-9
sulfuric acid

: 6970-78-1
1,2,3,4-tetrahydro-naphthalene-2,3-diol

: 89-51-0
Homophthalic acid

: 7500-53-0
1,2-Phenylenediacetic acid

: 88-99-3,73607-73-5
benzene-1,2-dicarboxylic acid

Guidance literature:: cis-2.3-dioxy-naphthalene tetrahydride-(1.2.3.4);

Reference yield:

: 1559-81-5
1-methyl-1,2,3,4-tetrahydronaphthalene

: 7500-53-0
1,2-Phenylenediacetic acid

: 529-34-0
3,4-dihydronaphthalene-1(2H)-one

Guidance literature:: With N-hydroxyphthalimide; C₁₇H₃₅N₂⁽¹⁺⁾*F₆Sb^(1-); oxygen; cobalt(II) acetate; In paraffin oil; at 80 ℃; for 15h; under 760.051 Torr; Reagent/catalyst; Autoclave; Ionic liquid;
DOI:10.1016/j.mcat.2018.01.006