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Basic information
- CAS
6358-57-2- Standard SMILES
Cc1ccc(S(=O)(=O)Oc2ccc(N=Nc3ccc(-c4ccc(N=Nc5c(S(=O)(=O)[O-])cc6cc(S(=O)(=O)[O-])ccc6c5O)cc4C)c(C)c3)cc2)cc1.[Na+].[Na+]- InChIKey
YFSRRLXAGNGNNQ-UHFFFAOYSA-L- Molecular formula
- C37H28N4Na2O10S3
- Average molar mass
- 830.8 g/mol
- Monoisotopic mass
- 830.07629466
Names & identifiers
- Preferred name
- Acid Red 111
- IUPAC
- disodium;4-hydroxy-3-[[3-methyl-4-[2-methyl-4-[[4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]phenyl]phenyl]diazenyl]naphthalene-2,7-disulfonate
Names & synonyms
Acid Red 1116358-57-2C.I. Acid Red 111, disodium saltC.I. ACID RED 111CCRIS 2424EINECS 228-779-486K4T0CSTSCI ACID RED 111ACID RED FGNACID RED F 3GL2,7-Naphthalenedisulfonic acid, 3-((2,2'-dimethyl-4'-((4-(((4-methylphenyl)sulfonyl)oxy)phenyl)azo)(1,1'-biphenyl)-4-yl)azo)-4-hydroxy-, disodium saltDTXSID3044708
Show more names
2,7-Naphthalenedisulfonic acid, 3-(2-(2,2'-dimethyl-4'-(2-(4-(((4-methylphenyl)sulfonyl)oxy)phenyl)diazenyl)(1,1'-biphenyl)-4-yl)diazenyl)-4-hydroxy-, sodium salt (1:2)CI 23266CI ACID RED 111, DISODIUM SALTC.I. 232662,7-Naphthalenedisulfonic acid, 3-[[2,2'-dimethyl-4'-[[4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]azo][1,1'-biphenyl]-4-yl]azo]-4-hydroxy-, disodium saltDisodium 3-((2,2'-dimethyl-4'-((4-(((p-tolyl)sulphonyl)oxy)phenyl)azo)(1,1'-biphenyl)-4-yl)azo)-4-hydroxynaphthalene-2,7-disulphonateDisodium 3-[[2,2'-dimethyl-4'-[[4-[[(p-tolyl)sulphonyl]oxy]phenyl]azo][1,1'-biphenyl]-4-yl]azo]-4-hydroxynaphthalene-2,7-disulphonate2,7-Naphthalenedisulfonic acid, 3-[2-[2,2'-dimethyl-4'-[2-[4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]diazenyl][1,1'-biphenyl]-4-yl]diazenyl]-4-hydroxy-, sodium salt (1:2)
Database identifiers
- CAS
6358-57-2- PubChem CID
- 22831
- DTXSID
DTXSID3044708
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 253 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 8
- Heavy atoms
- 56
- Formal charge
- 0
- Complexity
- 1,620
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 27.8% (5 of 18) of reports.
Warning
H317 (11.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 18 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 2,7-Naphthalenedisulfonic acid, 3-[[2,2'-dimethyl-4'-[[4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]azo][1,1'-biphenyl]-4-yl]azo]-4-hydroxy-, disodium salt
Hazard Traits - Bioaccumulation; Environmental Persistence
REACH registered substance: Disodium 3-[[2,2'-dimethyl-4'-[[4-[[(p-tolyl)sulphonyl]oxy]phenyl]azo][1,1'-biphenyl]-4-yl]azo]-4-hydroxynaphthalene-2,7-disulphonate (EC: 228-779-4)
2,7-Naphthalenedisulfonic acid, 3-[[2,2'-dimethyl-4'-[[4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]azo][1,1'-biphenyl]-4-yl]azo]-4-hydroxy-, disodium salt: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - 2,7-Naphthalenedisulfonic acid, 3-[[2,2'-dimethyl-4'-[[4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]azo][1,1'-biphenyl]-4-yl]azo]-4-hydroxy-, disodium salt: Human health tier I assessment
Hazard Classes and CategoriesSkin Sens. 1 (11.1%)
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2,7-Naphthalenedisulfonic acid, 3-[2-[2,2'-dimethyl-4'-[2-[4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]diazenyl][1,1'-biphenyl]-4-yl]diazenyl]-4-hydroxy-, sodium salt (1:2): ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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