Basic information
- CAS
2586-57-4- Standard SMILES
COc1cc(-c2ccc(N=Nc3c(O)ccc4ccccc34)c(OC)c2)ccc1N=Nc1ccc2c(S(=O)[O-])cc(S(=O)(=O)[O-])c(N)c2c1.[Na+].[Na+]- InChIKey
LRGRYCBPXHHUAU-UHFFFAOYSA-L- Molecular formula
- C34H25N5Na2O8S2
- Average molar mass
- 741.7 g/mol
- Monoisotopic mass
- 741.09399368
Names & identifiers
- Preferred name
- C.I. Direct Blue 22
- IUPAC
- disodium;1-amino-7-[[4-[4-[(2-hydroxynaphthalen-1-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-4-sulfinatonaphthalene-2-sulfonate
- English name
- CHLORAZOL BLUE RW
- Molecular formula
- C34H28N5NaO10S2
- Molecular weight
- 753.73
Names & synonyms
C.I. Direct Blue 22C.I. Direct Blue 22 (VAN)DTXSID80889456RefChem:331514C.I. Direct Blue 22 (7CI)DTXCID1010307722586-57-4EINECS 219-964-0NSC 16970NSC 47753SCHEMBL296378351,3-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-6-((4'-((2-hydroxy-1-naphthalenyl)azo)-3,3'-dimethoxy(1,1'-biphenyl)-4-yl)azo)-, disodium salt
Show more names
CI 24380NS 47753c.i.24280NSC-47753amanilbluerwbenzobluerwabenzobluerwsdiazolbluerwdirectbluebr
Disodium 4-amino-5-hydroxy-6-((4'-((2-hydroxy-1-naphthyl)azo)-3,3'-dimethoxy(1,1'-biphenyl)-4-yl)azo)naphthalene-1,3-disulphonate1,3-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-6-(2-(4'-(2-(2-hydroxy-1-naphthalenyl)diazenyl)-3,3'-dimethoxy(1,1'-biphenyl)-4-yl)diazenyl)-, sodium salt (1:2)Disodium 1-amino-7-({4'-[(2-hydroxynaphthalen-1-yl)diazenyl]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl}diazenyl)-4-sulfinatonaphthalene-2-sulfonate
Properties
Computed structural properties
- Topological polar surface area
- 239 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 7
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,280
Physicochemical properties
- EPA Substance Registry System
- 22 · C.I. Direct Blue 22, disodium salt (2586-57-4)
- TSCA
- TSCA listed
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
Danger
H341: Suspected of causing genetic defects [Warning Germ cell mutagenicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
Hazard information
Regulatory InformationChemical: 1,3-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-6-[[4'-[(2-hydroxy-1-naphthalenyl)azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]-, disodium salt
Other Safety InformationIMAP assessments - 1,3-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-6-[[4'-[(2-hydroxy-1-naphthalenyl)azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]-, disodium salt: Environment tier I assessment
Hazard Classes and CategoriesCarcinogenicity - category 1B
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-6-[2-[4'-[2-(2-hydroxy-1-naphthalenyl)diazenyl]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]diazenyl]-, sodium salt (1:2): INACTIVE
Preparation methods
Preparation3,3′-Dimethoxylbenzidine double nitriding, first and 4-Amino-5-hydroxynaphthalene-1,3-disulfonic acidcoupling, and then and Naphthalen-2-ol coupling.
Upstream & downstream products
Upstream raw materials
Suppliers4 total
郑州汇聚化工有限公司0371-55900031 18137872243 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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