Basic information
- CAS
3841-14-3- Standard SMILES
COc1cc(-c2ccc(N=Nc3ccc4c(S(=O)(=O)O)cc(S(=O)(=O)O)c(N)c4c3O)c(OC)c2)ccc1N=Nc1ccc2c(S(=O)(=O)O)cc(S(=O)(=O)O)c(N)c2c1O- InChIKey
OHMJKMNGYYWCHB-UHFFFAOYSA-N- Molecular formula
- C34H28N6O16S4
- Average molar mass
- 904.9 g/mol
- Monoisotopic mass
- 904.04446352
Overview
See also: Direct Blue 1 (annotation moved to).
Names & identifiers
- Preferred name
- Direct Blue 1 acid
- IUPAC
- 4-amino-6-[[4-[4-[(8-amino-1-hydroxy-5,7-disulfonaphthalen-2-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-5-hydroxynaphthalene-1,3-disulfonic acid
- English name
- 6,6'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[4-amino-5-hydroxynaphthalene-1,3-disulphonic] acid
- Molecular formula
- C34H28N6O16S4
- Molecular weight
- 904.88
Names & synonyms
Direct Blue 1 acidR1UJK1UY9REINECS 223-333-51,3-Naphthalenedisulfonic acid, 6,6'-((3,3'-dimethoxy(1,1'-biphenyl)-4,4'-diyl)bis(2,1-diazenediyl))bis(4-amino-5-hydroxy-1,3-Naphthalenedisulfonic acid, 6,6'-((3,3'-dimethoxy(1,1'-biphenyl)-4,4'-diyl)bis(azo))bis(4-amino-5-hydroxy-1,3-Naphthalenedisulfonic acid, 6,6'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(2,1-diazenediyl)]bis[4-amino-5-hydroxy-RefChem:589119Direct Blue 1Chicago Sky BlueChicago Sky Blue 6BCHEMBL3119093841-14-3
Show more names
Sky Blue FF6,6'-[(3,3'-Dimethoxy-4,4'-biphenylylene)bisazo]bis(4-amino-5-hydroxynaphthalene-1,3-disulfonic acid)2,2'-(3,3'-Dimethoxy-1,1'-biphenyl-4,4'-diylbisazo)bis(8-amino-1-hydroxynaphthalene-5,7-disulfonic acid)6,6'-[[3,3'-Dimethoxy[1,1'-biphenyl]-4,4'-diyl]bis(azo)]bis[4-amino-5-hydroxy-1,3-naphthalenedisulfonic acid]6,6'-[(3,3'-Dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[4-amino-5-hydroxy-1,3-naphthalenedisulfonic acid]
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 411 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 22
- Rotatable bonds
- 11
- Heavy atoms
- 60
- Formal charge
- 0
- Complexity
- 1,880
Physicochemical properties
- FDA UNII
- 1 UJK1UY9R · R1UJK1UY9R
- EPA Substance Registry System
- 1 · 1,3-Naphthalenedisulfonic acid, 6,6'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[4-amino-5-hydroxy- (3841-14-3)
- 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.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3-Naphthalenedisulfonic acid, 6,6'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(2,1-diazenediyl)]bis[4-amino-5-hydroxy-: INACTIVE
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
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Compound notes
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