2,2'-((3,3'-Dimethoxy(1,1'-biphenyl)-4,4'-diyl)diimino)bis-benzoic acid
Basic information
- CAS
52962-95-5- Standard SMILES
COc1cc(-c2ccc(Nc3ccccc3C(=O)O)c(OC)c2)ccc1Nc1ccccc1C(=O)O- InChIKey
IQZIRNIZQHVBMB-UHFFFAOYSA-N- Molecular formula
- C28H24N2O6
- Average molar mass
- 484.5 g/mol
- Monoisotopic mass
- 484.16343649
Overview
structure given in first source
Names & identifiers
- Preferred name
- 2,2'-((3,3'-Dimethoxy(1,1'-biphenyl)-4,4'-diyl)diimino)bis-benzoic acid
- IUPAC
- 2-[4-[4-(2-carboxyanilino)-3-methoxyphenyl]-2-methoxyanilino]benzoic acid
- English name
- 2,2'-((3,3'-dimethoxy(1,1'-biphenyl)-4,4'-diyl)diimino)bis-benzoic acid
- Molecular formula
- C28H24N2O6
- Molecular weight
- 484.5
Names & synonyms
Redoxal52962-95-52,2'-((3,3'-dimethoxy(1,1'-biphenyl)-4,4'-diyl)diimino)bis-benzoic acidQ0VK2156M5NSC-73735DTXSID90201004Benzoic acid, 2,2'-((3,3'-dimethoxy(1,1'-biphenyl)-4,4'-diyl)diimino)bis-RefChem:80648DTXCID501234952-[4-[4-(2-carboxyanilino)-3-methoxyphenyl]-2-methoxyanilino]benzoic acidMLS000736810NSC73735
Show more names
4,4'-BIS-(2-CARBOXYPHENYLAMINO)-3,3'-DIMETHOXYBIPHENYL4,4'-BIS-(2-CARBOXYPHENYLAMINO)-3,3'-DIMETHOXYBIPHENYLBenzoic acid, 2,2'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)diimino]bis-
SMR0005283332-[4-[4-(2-carboxyanilino)-3-methoxy-phenyl]-2-methoxy-anilino]benzoic acid2,2'-((3,3'-Dimethoxy-[1,1'-biphenyl]-4,4'-diyl)bis(azanediyl))dibenzoic acidN,N'-BIS(o-CARBOXYPHENYL)-o-DIANISIDINENSC 73735cid_72571UNII-Q0VK2156M5orb2814785
Database identifiers
- CAS
52962-95-5
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 675
Physicochemical properties
- FDA UNII
- 0 VK2156M5 · Q0VK2156M5
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Suppliers
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Related reactions
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Compound notes
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