Basic information
- CAS
12226-61-8- Standard SMILES
C=C(Br)C(=O)Nc1ccc(S(=O)(=O)[O-])c(N=NC2C(=O)N(c3cc(Cl)c(S(=O)(=O)[O-])cc3Cl)N=C2C)c1.[Na+].[Na+]- InChIKey
JVURCOFLRNSPQI-UHFFFAOYSA-L- Molecular formula
- C19H12BrCl2N5Na2O8S2
- Average molar mass
- 699.2 g/mol
- Monoisotopic mass
- 696.84831
Overview
See also: Lanosol yellow 4G (annotation moved to) ... View More ...
Names & identifiers
- Preferred name
- Benzenesulfonic acid, 4-[4-[2-[5-[(2-bromo-1-oxo-2-propen-1-yl)amino]-2-sulfophenyl]diazenyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-2,5-dichloro-, sodium salt (1:2)
- IUPAC
- disodium;4-[4-[[5-(2-bromoprop-2-enoylamino)-2-sulfonatophenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]-2,5-dichlorobenzenesulfonate
- English name
- Reactive Yellow 39
- Molecular formula
- C19H12BrCl2N5Na2O8S2
- Molecular weight
- 0
Names & synonyms
DISODIUM 4-[4-[[5-[(2-BROMO-1-OXOALLYL)AMINO]-2-SULPHONATOPHENYL]AZO]-4,5-DIHYDRO-3-METHYL-5-OXO-1H-PYRAZOL-1-YL]-2,5-DICHLOROBENZENESULPHONATEBenzenesulfonic acid, 4-(4-(2-(5-((2-bromo-1-oxo-2-propen-1-yl)amino)-2-sulfophenyl)diazenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-2,5-dichloro-, sodium salt (1:2)Disodium 4-(4-((5-((2-bromo-1-oxoallyl)amino)-2-sulphonatophenyl)azo)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-2,5-dichlorobenzenesulphonateBenzenesulfonic acid, 4-[4-[2-[5-[(2-bromo-1-oxo-2-propen-1-yl)amino]-2-sulfophenyl]diazenyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-2,5-dichloro-, sodium salt (1:2)RefChem:564464274-499-0602-434-112226-61-8reactive yellow 39Lanasol Yellow 4G70247-70-0C.I. Reactive Yellow 39
Show more names
C.I.Reactive Yellow 39:C.I.189764-[4-[[5-(2-bromoprop-2-enoylamino)-2-sulfonatophenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]-2,5-dichlorobenzenesulfonate
Properties
Computed structural properties
- Topological polar surface area
- 218 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 5
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,190
Physicochemical properties
- EWG's Food Scores
- 1 · 1
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 6.2% (2 of 32) of reports.
Danger
H315 (25%): 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 32 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: Disodium 4-[4-[[5-[(2-bromo-1-oxoallyl)amino]-2-sulphonatophenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-2,5-dichlorobenzenesulphonate (EC: 274-499-0)
Hazard Classes and CategoriesSkin Corr. 1A (25%)
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonic acid, 4-[4-[2-[5-[(2-bromo-1-oxo-2-propen-1-yl)amino]-2-sulfophenyl]diazenyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-2,5-dichloro-, sodium salt (1:2): ACTIVE
Preparation methods
Preparation2-Amino-4-(2-bromoacrylamido)benzenesulfonic acid diazo, and 2,5-Bichloro-4-(3-methyl-5-oxo-4,5-dihydropyrazol-1-yl)benzenesulfonic acid coupling.
Upstream & downstream products
Upstream raw materials
Suppliers3 total
武汉克米克生物医药技术有限公司027-13163388153 13163388153 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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