2-Naphthalenesulfonic acid, 5-[2-[4-[(2-bromo-1-oxo-2-propen-1-yl)amino]-2-sulfophenyl]diazenyl]-4-hydroxy-6-(methylamino)-, sodium salt (1:2)
Basic information
- CAS
12226-33-4- Standard SMILES
C=C(Br)C(=O)Nc1ccc(N=Nc2c(NC)ccc3cc(S(=O)(=O)[O-])cc(O)c23)c(S(=O)(=O)[O-])c1.[Na+].[Na+]- InChIKey
HNPZBDFFHBHBFR-UHFFFAOYSA-L- Molecular formula
- C20H15BrN4Na2O8S2
- Average molar mass
- 629.4 g/mol
- Monoisotopic mass
- 627.93101
Overview
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Names & identifiers
- Preferred name
- 2-Naphthalenesulfonic acid, 5-[2-[4-[(2-bromo-1-oxo-2-propen-1-yl)amino]-2-sulfophenyl]diazenyl]-4-hydroxy-6-(methylamino)-, sodium salt (1:2)
- IUPAC
- disodium;5-[[4-(2-bromoprop-2-enoylamino)-2-sulfonatophenyl]diazenyl]-4-hydroxy-6-(methylamino)naphthalene-2-sulfonate
- English name
- Reactive Red 66
- Molecular formula
- C20H15BrN4Na2O8S2
- Molecular weight
- 629.36864
Names & synonyms
12226-33-4DTXSID008900642-Naphthalenesulfonic acid, 5-(2-(4-((2-bromo-1-oxo-2-propen-1-yl)amino)-2-sulfophenyl)diazenyl)-4-hydroxy-6-(methylamino)-, sodium salt (1:2)2-Naphthalenesulfonic acid, 5-[2-[4-[(2-bromo-1-oxo-2-propen-1-yl)amino]-2-sulfophenyl]diazenyl]-4-hydroxy-6-(methylamino)-, sodium salt (1:2)Disodium 5-((4-((2-bromo-1-oxoallyl)amino)-2-sulphonatophenyl)azo)-4-hydroxy-6-(methylamino)naphthalene-2-sulphonateDisodium 5-[[4-[(2-bromo-1-oxoallyl)amino]-2-sulphonatophenyl]azo]-4-hydroxy-6-(methylamino)naphthalene-2-sulphonateRefChem:476779DTXCID201078985274-436-7602-422-6Reactive Red 6670210-39-8
Show more names
C.I.Reactive Red 66:C.I.17555Disodium (6E)-5-(2-{4-[(2-bromoacryloyl)amino]-2-sulfonatophenyl} hydrazino)-6-(methylimino)-4-oxo-4,6-dihydro-2-naphthalenesulfona te
2-Naphthalenesulfonic acid, 5-((4-((2-bromo-1-oxo-2-propenyl)amino)-2-sulfophenyl)azo)-4-hydroxy-6-(methylamino)-, disodium saltLanasol Red 5B2-Naphthalenesulfonic acid, 5-[[4-[(2-bromo-1-oxo-2-propenyl)amino]-2-sulfophenyl]azo]-4-hydroxy-6-(methylamino)-, disodium saltdisodium;5-[[4-(2-bromoprop-2-enoylamino)-2-sulfonatophenyl]diazenyl]-4-hydroxy-6-(methylamino)naphthalene-2-sulfonateEINECS 274-436-7C.I. 17555EC 274-436-7SCHEMBL29663676
Properties
Computed structural properties
- Topological polar surface area
- 217 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 5
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 1,020
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 4.3% (1 of 23) of reports.
Danger
H315 (47.8%): Causes skin irritation [Warning Skin corrosion/irritation]
P233, P260, P261, P264, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 23 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 2-Naphthalenesulfonic acid, 5-[2-[4-[(2-bromo-1-oxo-2-propen-1-yl)amino]-2-sulfophenyl]diazenyl]-4-hydroxy-6-(methylamino)-, sodium salt (1:2)
REACH registered substance: Disodium 5-[[4-[(2-bromo-1-oxoallyl)amino]-2-sulphonatophenyl]azo]-4-hydroxy-6-(methylamino)naphthalene-2-sulphonate (EC: 274-436-7)
Hazard Classes and CategoriesSkin Irrit. 2 (47.8%)
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Naphthalenesulfonic acid, 5-[2-[4-[(2-bromo-1-oxo-2-propen-1-yl)amino]-2-sulfophenyl]diazenyl]-4-hydroxy-6-(methylamino)-, sodium salt (1:2): ACTIVE
Preparation methods
Preparation2-Amino-5-(2-bromoacrylamido)benzenesulfonic aciddiazo, and4-Hydroxy-6-(methylamino)naphthalene-2-sulfonic acid in acid conditions coupled.
Upstream & downstream products
Upstream raw materials
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