Benzoic acid, 3,3'-[(2,5-dimethyl-1,4-phenylene)bis[iminocarbonyl(2-hydroxy-3,1-naphthalenediyl)azo]]bis[4-methyl-, bis(2-chloroethyl) ester
Basic information
- CAS
68259-05-2- Standard SMILES
Cc1ccc(C(=O)OCCCl)cc1N=Nc1c(O)c(C(=O)Nc2cc(C)c(NC(=O)c3cc4ccccc4c(N=Nc4c(C)cccc4C(=O)OCCCl)c3O)cc2C)cc2ccccc12- InChIKey
POKDDGKLRIMTKL-UHFFFAOYSA-N- Molecular formula
- C50H42Cl2N6O8
- Average molar mass
- 925.8 g/mol
- Monoisotopic mass
- 924.2441177
Names & identifiers
- Preferred name
- Benzoic acid, 3,3'-[(2,5-dimethyl-1,4-phenylene)bis[iminocarbonyl(2-hydroxy-3,1-naphthalenediyl)azo]]bis[4-methyl-, bis(2-chloroethyl) ester
- IUPAC
- 2-chloroethyl 2-[[3-[[4-[[4-[[5-(2-chloroethoxycarbonyl)-2-methylphenyl]diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]-2,5-dimethylphenyl]carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-3-methylbenzoate
Names & synonyms
Benzoic acid, 3,3'-((2,5-dimethyl-1,4-phenylene)bis(iminocarbonyl(2-hydroxy-3,1-naphthalenediyl)azo))bis(4-methyl-, bis(2-chloroethyl) esterBenzoic acid, 3,3'-[(2,5-dimethyl-1,4-phenylene)bis[iminocarbonyl(2-hydroxy-3,1-naphthalenediyl)azo]]bis[4-methyl-, bis(2-chloroethyl) esterRefChem:565673bis(2-chloroethyl) 3,3'-[(2,5-dimethyl-p-phenylene)bis[iminocarbonyl(2-hydroxy-1,3-naphthylene)azo]]di-p-toluateCROMOPHTAL RED GBis(2-chloroethyl) 3,3'-((2,5-dimethyl-p-phenylene)bis(iminocarbonyl(2-hydroxy-1,3-naphthylene)azo))di-p-toluatePIGMENT RED 220EC 269-507-4X3UQ443SWJ2-Chloroethyl 2-[[3-[[4-[[4-[[5-(2-chloroethoxycarbonyl)-2-methylphenyl]diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]-2,5-dimethylphenyl]carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-3-methylbenzoateDTXSID80867552EINECS 269-507-4
Show more names
PR 220CI 200552-Chloroethyl 2-({3-[(4-{[4-({5-[(2-chloroethoxy)carbonyl]-2-methylphenyl}diazenyl)-3-hydroxynaphthalene-2-carbonyl]amino}-2,5-dimethylphenyl)carbamoyl]-2-hydroxynaphthalen-1-yl}diazenyl)-3-methylbenzoate2-Chloroethyl 2-{[3-({4-[4-({5-[(2-chloroethoxy)carbonyl]-2-methylphenyl}diazenyl)-3-hydroxynaphthalene-2-carboxamido]-2,5-dimethylphenyl}carbamoyl)-2-hydroxynaphthalen-1-yl]diazenyl}-3-methylbenzoate3,3'-((2,5-DIMETHYL-1,4- PHENYLENE)BIS(IMINO-CARBONYL(2-HYDROXY-3, 1-NAPHTHALENEDIYL)AZO)) BIS(4- METHYLBENZOIC ACID), BIS(2- CHLOROETHYL)ESTERBENZOIC ACID, 3,3'-((2,5-DIMETHYL-1,4- PHENYLENE)BIS(IMINOCARBONYL(2-HYDROXY-3,1- NAPHTHALENEDIYL)AZO))BIS(4-METHYL-, BIS(2-CHLOROETHYL) ESTERBENZOIC ACID, 3,3'-((2,5-DIMETHYL-1,4- PHENYLENE)BIS(IMINOCARBONYL(2-HYDROXY-3,1-NAPHTHALENEDIYL)- 2,1-DIAZENEDIYL))BIS(4-METHYL-, 1,1'-BIS(2-CHLOROETHYL) ESTERBIS(2-CHLOROETHYL) 3,3'-((2,5-DIMETHYL-P- PHENYLENE)BIS(IMINOCARBONYL(2-HYDROXY-1,3- NAPHTHYLENE)AZO))DI-P-TOLUATE
Properties
Computed structural properties
- XLogP
- 12.4
- Topological polar surface area
- 201 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 16
- Heavy atoms
- 66
- Formal charge
- 0
- Complexity
- 1,710
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 100% (184 of 184) of all reports.
Not Classified
Aggregated GHS information provided per 184 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
REACH registered substance: Bis(2-chloroethyl) 3,3'-[(2,5-dimethyl-p-phenylene)bis[iminocarbonyl(2-hydroxy-1,3-naphthylene)azo]]di-p-toluate (EC: 269-507-4)
Benzoic acid, 3,3'-[(2,5-dimethyl-1,4-phenylene)bis[iminocarbonyl(2-hydroxy-3,1-naphthalenediyl)azo]]bis[4-methyl-, bis(2-chloroethyl) ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesNot Classified
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…