Chemical identity

2,2'-(((3,3',5,5'-Tetrachloro-[1,1'-biphenyl]-4,4'-diyl)bis(azanediyl))bis(2,1-phenylene))diacetic acid

CAS not listed · C28H20Cl4N2O4

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-32982
PubChem CID169438244
Name2,2'-(((3,3',5,5'-Tetrachloro-[1,1'-biphenyl]-4,4'-diyl)bis(azanediyl))bis(2,1-phenylene))diacetic acid
CAS RNNot listed
Molecular formulaC28H20Cl4N2O4
Molecular weight590.3 g/mol
IUPAC name2-[2-[4-[4-[2-(carboxymethyl)anilino]-3,5-dichlorophenyl]-2,6-dichloroanilino]phenyl]acetic acid
InChIKeyJGUBDKQKAAKJED-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 169438244
Two-dimensional chemical structure of 2,2'-(((3,3',5,5'-Tetrachloro-[1,1'-biphenyl]-4,4'-diyl)bis(azanediyl))bis(2,1-phenylene))diacetic acid
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 rings, includes aromatic atoms, includes aliphatic carbon, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres0
Ring count4
Secondary amines2
Tertiary amines0
N-methyl amine sites0
SMILESC1=CC=C(C(=C1)CC(=O)O)NC2=C(C=C(C=C2Cl)C3=CC(=C(C(=C3)Cl)NC4=CC=CC=C4CC(=O)O)Cl)Cl
InChINot listed
Formula from structureC28H20Cl4N2O4
Molecular weight from structure590.3 g/mol

03Possible N-nitroso structures

Shown for structural screening only. These candidates are not confirmed impurities, formation predictions or analytical findings.

Matched amine site1 candidate
Chemical structure of 2,2'-(((3,3',5,5'-Tetrachloro-[1,1'-biphenyl]-4,4'-diyl)bis(azanediyl))bis(2,1-phenylene))diacetic acid with the matched amine site highlighted in amber
Amber identifies the screened atom and adjacent bonds.
Possible structure candidateUnverified identity
First calculated possible N-nitroso structure derived from 2,2'-(((3,3',5,5'-Tetrachloro-[1,1'-biphenyl]-4,4'-diyl)bis(azanediyl))bis(2,1-phenylene))diacetic acid, with the new N-nitroso group highlighted in amber
The new N-N=O atoms and bonds are highlighted. No CAS number or compound name is assigned by this calculation.
Candidate 1Possible N-nitroso structural candidate
Calculated formula
C28H19Cl4N3O5
Candidate SMILES
O=NN(c1ccccc1CC(=O)O)c1c(Cl)cc(-c2cc(Cl)c(Nc3ccccc3CC(=O)O)c(Cl)c2)cc1Cl

Interpretation: A structural alert alone does not establish that a nitrosamine forms. Evaluate nitrite sources, amine reagents, pH, temperature, process sequence, purge and analytical evidence.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNO EXACT MATCH FOUNDNo CAS number is available for an exact comparison.
SCOMETNO EXACT REVIEWED CAS MATCHNo CAS number is available for an exact comparison.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

No parent compound is listed.

Other names

No synonyms are listed.

Related records from the same parent family

No related records are linked by parent name.

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources