8-[[4-[4-[(4-Ethoxyphenyl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-7-hydroxynaphthalene-1,3-disulfonic acid
Basic information
- CAS
6358-29-8- Standard SMILES
CCOc1ccc(N=Nc2ccc(-c3ccc(N=Nc4c(O)ccc5cc(S(=O)(=O)O)cc(S(=O)(=O)O)c45)c(C)c3)cc2C)cc1- InChIKey
UPWKNFZOZGYCQR-UHFFFAOYSA-N- Molecular formula
- C32H28N4O8S2
- Average molar mass
- 660.7 g/mol
- Monoisotopic mass
- 660.13485621
Names & identifiers
- Preferred name
- 8-[[4-[4-[(4-Ethoxyphenyl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-7-hydroxynaphthalene-1,3-disulfonic acid
- IUPAC
- 8-[[4-[4-[(4-ethoxyphenyl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-7-hydroxynaphthalene-1,3-disulfonic acid
- English name
- DIRECT FAST RED 3B
- Molecular formula
- C32H26N4Na2O8S2
- Molecular weight
- 704.68
Names & synonyms
SCHEMBL18084213DTXSID30859962NSC570188-[[4-[4-[(4-Ethoxyphenyl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-7-hydroxynaphthalene-1,3-disulfonic acid1, 8-[[4'-[(4-ethoxyphenyl)azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]-7-hydroxy-, disodium salt8-({4'-[(4-Ethoxyphenyl)diazenyl]-3,3'-dimethyl[1,1'-biphenyl]-4-yl}diazenyl)-7-hydroxynaphthalene-1,3-disulfonic acidc.i.23630benzored3bdirectfastredcidirectred39DIRECT RED 39diazolscarlet3b
Show more names
chloraminered3bpaperscarlet3bppaperscarlet3bxERIE SCARLET 3B
Database identifiers
- CAS
6358-29-8- PubChem CID
- 22828
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 204 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 9
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,280
Physicochemical properties
- Colour Index
- 23630 · 23630
- FDA UNII
- 99 D0BZC19R · 99D0BZC19R
- EPA Substance Registry System
- 39 · C.I. Direct Red 39, disodium salt (6358-29-8)
- Symbol(GHS)
- 8 · GHS08
- Signal word
- Danger
- Hazard statements
- 350 · H350
- RTECS
- 6476000 · QJ6476000
- TSCA
- TSCA listed
- Hazardous Substances Data
- 6358 · 6358-29-8(Hazardous Substances Data)
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
- tsca
- TSCA listed
- rtecs
- QJ6476000
- Signal word
- Danger
- Symbol(GHS)
- GHS08
- Hazard statements
- H350
- Hazardous Substances Data
- 6358-29-8(Hazardous Substances Data)
Chemistry & industry
Applications
UsesDirect Fast Red 3B is an organic, diazo dye used in the textile industry for various materials, such as cotton and silk.
General DescriptionDark red powder.
Preparation methods
Preparation3,3′-Dimethylbenzidine double nitriding, first and 7-Hydroxynaphthalene-1,3-disulfonic acid coupling, and then coupled with phenol, finally under certain pressure and heat monomer (VCM), hydroxyl ethyl of phenol.
Upstream & downstream products
Upstream raw materials
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