Basic information
- CAS
2429-74-5- Standard SMILES
COc1cc(-c2ccc(N=Nc3c(S(=O)(=O)[O-])cc4cc(S(=O)(=O)[O-])cc(N)c4c3O)c(OC)c2)ccc1N=Nc1c(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])cc(N)c2c1O.[Na+].[Na+].[Na+].[Na+]- InChIKey
OLSOUGWNONTDCK-UHFFFAOYSA-J- Molecular formula
- C34H24N6Na4O16S4
- Average molar mass
- 992.8 g/mol
- Monoisotopic mass
- 991.9722405
Overview
C.I. Direct Blue 15 can cause cancer according to The World Health Organization's International Agency for Research on Cancer (IARC).
Names & identifiers
- Preferred name
- Direct blue 15
- IUPAC
- tetrasodium;5-amino-3-[[4-[4-[(8-amino-1-hydroxy-3,6-disulfonatonaphthalen-2-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonate
- English name
- DIRECT BLUE 15
- Molecular formula
- C34H29N6NaO16S4
- Molecular weight
- 928.86
Names & synonyms
DIRECT BLUE 152429-74-5Airedale Blue DDiazol Pure Blue 4BDiamine Blue 6BPaper Blue SBenzanil Sky BlueAzine Sky Blue 5BChloramine Sky Blue ADirect Sky BlueDiamine Sky BlueNiagara Blue 4B
Show more names
Direct Lake Blue 5BCI 24400ncic61290skyblue4bskyblue5bpaperbluesLIGHT BLUEmodrprima15CI NO 24400directbluehh
C.I. 24400Aizen Direct Sky Blue 5BHCI Direct Blue 15Diphenyl Sky Blue 6BNippon Direct Sky BlueChloramine Sky Blue 4BDirect Pure BlueAmanil Sky Blue
Database identifiers
- CAS
2429-74-5- PubChem CID
- 17059
- DTXSID
DTXSID7020186- ChEBI
CHEBI:82305
Properties
Computed structural properties
- Topological polar surface area
- 423 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 22
- Rotatable bonds
- 7
- Heavy atoms
- 64
- Formal charge
- 0
- Complexity
- 1,830
Physicochemical properties
- storage temp.
- room temp
- solubility
- DMSO (Slightly), Water (Slightly)
- Colour Index
- 24400 · 24400
- form
- Solid
- color
- Very Dark Blue to Black
- Water Solubility
- 10 mg/mL, · water: 10mg/mL, clear, blue
- Stability
- Hygroscopic
- Major Application
- diagnostic assay manufacturinghematologyhistology
- InChIKey
- OLSOUGWNONTDCK-UHFFFAOYSA-J
- SMILES
- [Na+].[Na+].[Na+].[Na+].COc1cc(ccc1N=Nc2c(O)c3c(N)cc(cc3cc2S([O-])(=O)=O)S([O-])(=O)=O)-c4ccc(N=Nc5c(O)c6c(N)cc(cc6cc5S([O-])(=O)=O)S([O-])(=O)=O)c(OC)c4
- Toxicology and Carcinogenesis
- 15 · Toxicology and Carcinogenesis Studies of C.I. Direct Blue 15 (CASRN 2429-74-5) in F344 Rats (Drinking Water Studies)
- FDA UNII
- 5 C44C6888V · 5C44C6888V
- Proposition 65 List
- 15 · C.I. Direct Blue 15
- IARC
- 2 B · 2B (Vol. 57) 1993
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- QJ6420000
- risk_code
- 45
- Signal word
- Danger
- Symbol(GHS)
- GHS08
- hazard_code
- T
- safety_code
- 53-45
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H350
- Hazard Classifications
- Carc. 1B
- Precautionary statements
- P201-P308+P313
- Hazardous Substances Data
- 2429-74-5(Hazardous Substances Data)
Chemistry & industry
Applications
UsesDirect Blue 15 may be used as a substitute for trypan blue (T895523) for some biological and staining applications. Dyes and metabolites.
General DescriptionDeep purple to dark blue microcrystalline powder.
Preparation methods
Preparation3,3′-Dimethoxylbenzidine double nitriding, in alkaline conditions and 4-Amino-5-hydroxynaphthalene-2,7-disulfonic acid(2 Moore) coupled.
Upstream & downstream products
Upstream raw materials
Suppliers87 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
Hebei Jingbo New Material Technology Co., Ltd+86-19931165850 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
HebeiShuoshengImportandExportco.,Ltd
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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