Basic information
- CAS
15012-28-9- Standard SMILES
CC1=CC(=C(c2ccc(C(=O)O)c(O)c2C)c2c(Cl)cccc2Cl)C=C(C(=O)O)C1=O- InChIKey
PZVLLEKFIZJXHP-UHFFFAOYSA-N- Molecular formula
- C23H16Cl2O6
- Average molar mass
- 459.3 g/mol
- Monoisotopic mass
- 458.0323936
Names & identifiers
- Preferred name
- 4-[(3-Carboxy-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)-(2,6-dichlorophenyl)methyl]-2-hydroxy-3-methylbenzoic acid
- IUPAC
- 4-[(3-carboxy-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)-(2,6-dichlorophenyl)methyl]-2-hydroxy-3-methylbenzoic acid
- English name
- Mordant Blue 1
- Molecular formula
- C23H16Cl2O6
- Molecular weight
- 459.28
Names & synonyms
CI Mordant Blue 1, free acid4-[(3-carboxy-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)-(2,6-dichlorophenyl)methyl]-2-hydroxy-3-methylbenzoic acidEriochrome Blue SBBCI Mordant Blue 1Eriochrome Azurol B free formEriochrome Azurol 6B free formPZVLLEKFIZJXHP-UHFFFAOYSA-NEINECS 239-098-72'',6''-Dichloro-3,3'-dimethyl-4-hydroxyfuchsone-5,5'-dicarboxylic acid5-((3-Carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)(2,6-dichlorophenyl)methyl)-3-methylsalicylic acidChromazurol BMordant Blue 1
Show more names
5-[(3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)(2,6-dichlorophenyl)methyl]-3-methylsalicylic acid2-Hydroxy-5-[α-(3-carboxy-5-methyl-4-oxo-2,5-cyclohexadiene-1-ylidene)-2,6-dichlorobenzyl]-3-methylbenzoic acid4-[(3-Carboxy-5-methyl-4-oxo-1-cyclohexa-2,5-dienylidene)(2,6-dichlorophenyl)methyl]-2-hydroxy-3-methylbenzoic acid
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 863
Chemistry & industry
Suppliers4 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
武汉沃轩科技有限公司13322067656 · [email protected]
重庆卡兰医药有限公司[email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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