Basic information
- CAS
25188-42-5- Standard SMILES
O=C(Nc1ccc2c(O)c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)O)cc4)cc3)c(S(=O)(=O)O)cc2c1)c1ccccc1- InChIKey
IGXZMQCLUNTWCC-UHFFFAOYSA-N- Molecular formula
- C29H21N5O8S2
- Average molar mass
- 631.6 g/mol
- Monoisotopic mass
- 631.08315463
Overview
Sirius red 4B (acid form) is a naphthalenesulfonic acid that is 7-amino-4-hydroxy-3-({4-[(4-sulfophenyl)diazenyl]phenyl}diazenyl)naphthalene-2-sulfonic acid in which one of the amino hydrogens is replaced by a benzoyl group. The disodium salt is the histological dye 'Sirius red 4B'. It has a role as a fluorochrome, a poison, a histological dye and an environmental contaminant. It is a member of azobenzenes, a member of benzamides, a member of naphthols, a naphthalenesulfonic acid and a bis(azo) compound. It is a conjugate acid of a Sirius red 4B(2-).
Names & identifiers
- Preferred name
- Direct Red 81 free acid
- IUPAC
- 7-benzamido-4-hydroxy-3-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]naphthalene-2-sulfonic acid
- English name
- 7-benzamido-4-hydroxy-3-[[4-[(4-sulphophenyl)azo]phenyl]azo]naphthalene-2-sulphonic acid
- Molecular formula
- C29H21N5O8S2
- Molecular weight
- 631.64
Names & synonyms
Direct Red 81 free acid7-(Benzoylamino)-4-hydroxy-3-((4-((4-sulfophenyl)azo)phenyl)azo)-2-naphthalenesulfonic acidRLM8W5IPXBEINECS 246-727-9DIRECT PAPER RED 4BL2-Naphthalenesulfonic acid, 7-(benzoylamino)-4-hydroxy-3-((4-((4-sulfophenyl)azo)phenyl)azo)-7-Benzamido-4-hydroxy-3-((4-((4-sulphophenyl)azo)phenyl)azo)naphthalene-2-sulphonic acid7-benzamido-4-hydroxy-3-[[4-[(4-sulphophenyl)azo]phenyl]azo]naphthalene-2-sulphonic acid2-NAPHTHALENESULFONIC ACID, 7-(BENZOYLAMINO)-4-HYDROXY-3-(2-(4-(2-(4-SULFOPHENYL)DIAZENYL)PHENYL)DIAZENYL)-2-Naphthalenesulfonic acid, 7-(benzoylamino)-4-hydroxy-3-[[4-[(4-sulfophenyl)azo]phenyl]azo]-7-(Benzoylamino)-4-hydroxy-3-[[4-[(4-sulfophenyl)azo]phenyl]azo]-2-naphthalenesulfonic acidRefChem:589141
Show more names
7-Benzoylamino-4-hydroxy-3-[4-(4-sulfophenylazo)phenylazo]-2-naphthalenesulfonic acid7-Benzoylamino-4-hydroxy-3-[[4-[(4-sulfophenyl)azo]phenyl]azo]-2-naphthalenesulfonic acid2-Naphthalenesulfonic acid, 7-(benzoylamino)-4-hydroxy-3-[2-[4-[2-(4-sulfophenyl)diazenyl]phenyl]diazenyl]-
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 224 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 8
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,250
Experimental & physicochemical properties
Collision Cross Section283.1 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID5041726]
Physicochemical properties
- Density
- 1.54 · 1.54±0.1 g/cm3(Predicted)
- pka
- -1.06 · -1.06±0.50(Predicted)
- FDA UNII
- 8 W5IPXB · RLM8W5IPXB
- EPA Substance Registry System
- 7 · 7-(Benzoylamino)-4-hydroxy-3-[[4-[(4-sulfophenyl)azo]phenyl]azo]-2-naphthalenesulfonic acid (25188-42-5)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
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
This chemical does not meet GHS hazard criteria for 99.1% (107 of 108) of all reports.
Not Classified
Aggregated GHS information provided per 108 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: 2-Naphthalenesulfonic acid, 7-(benzoylamino)-4-hydroxy-3-[[4-[(4-sulfophenyl)azo]phenyl]azo]-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesNot Classified
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers2 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
Additional notes
DefinitionChEBI: A naphthalenesulfonic acid that is 7-amino-4-hydroxy-3-({4-[(4-sulfophenyl)diazenyl]phenyl}diazenyl)naphthalene-2-sulfonic acid in which one of the amino hydrogens is replaced by a benzoyl group. The disodium salt is the histological dye 'Sirius red 4B'.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…