Basic information
- CAS
15139-76-1- Standard SMILES
CCOC(=O)c1[nH]n(-c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1N=Nc1ccc(S(=O)(=O)[O-])c2ccccc12.[Na+].[Na+]- InChIKey
CWEKGCILYDRKNV-UHFFFAOYSA-L- Molecular formula
- C22H16N4Na2O9S2
- Average molar mass
- 590.5 g/mol
- Monoisotopic mass
- 590.01540901
Overview
Orange B is a naphthalenesulfonic acid.
Names & identifiers
- Preferred name
- 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-4-[2-(4-sulfo-1-naphthalenyl)diazenyl]-1-(4-sulfophenyl)-, 3-ethyl ester, sodium salt (1:2)
- IUPAC
- disodium;4-[[5-ethoxycarbonyl-3-oxo-2-(4-sulfonatophenyl)-1H-pyrazol-4-yl]diazenyl]naphthalene-1-sulfonate
- English name
- disodium 3-ethyl 4,5-dihydro-5-oxo-4-[(4-sulphonato-1-naphthyl)azo]-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate
- Molecular formula
- C22H19N4NaO9S2
- Molecular weight
- 570.52
Names & synonyms
1H-PYRAZOLE-3-CARBOXYLIC ACID, 4,5-DIHYDRO-5-OXO-4-(2-(4-SULFO-1-NAPHTHALENYL)DIAZENYL)-1-(4-SULFOPHENYL)-, 3-ETHYL ESTER, SODIUM SALT (1:2)1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-4-[2-(4-sulfo-1-naphthalenyl)diazenyl]-1-(4-sulfophenyl)-, 3-ethyl ester, sodium salt (1:2)RefChem:439020ORANGE B [MI]ORANGE B [MART.]SCHEMBL132534DTXSID7044219CHEBI:171726CI 19235Q7099512Disodium 4-{(E)-[5-(ethoxycarbonyl)-3-oxo-2-(4-sulfonatophenyl)-2,3-dihydro-1H-pyrazol-4-yl]diazenyl}naphthalene-1-sulfonateDISODIUM SALT OF 1-(4-SULFOPHENYL)-3-ETHYLCARBOXY-4-(4-SULFONAPHTHYLAZO)-5- HYDRO-XYPYRAZOLE
Show more names
orange BC.I.19235Orange 137C.I.Acid Orange 137C.I.Acid Orange 137:C.I.19235disodium 3-ethyl 4,5-dihydro-5-oxo-4-[(4-sulphonato-1-naphthyl)azo]-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylateSodium (E)-4-[[3-(Ethoxycarbonyl)-5-oxo-1-(4-sulfonatophenyl)-4,5-dihydro-4-pyrazolyl]diazenyl]naphthalene-1-sulfonate
Properties
Computed structural properties
- Topological polar surface area
- 215 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 6
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,140
Physicochemical properties
- color
- Dull orange crystals
- Substances Added to Food (formerly EAFUS)
- ORANGE B
- FDA 21 CFR
- 74.25 · 74.250
- FDA UNII
- 455 OS50 · RGU455OS50
- Hazardous Substances Data
- 15139 · 15139-76-1(Hazardous Substances Data)
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
- Hazardous Substances Data
- 15139-76-1(Hazardous Substances Data)
Chemistry & industry
Applications
UsesIn coloring sausage and frankfurter casings.
Preparation methods
PreparationPhenylhydrazine-4-sulfonic acidand 2-Hydroxymaleic acidethyl ester derivatives of the sodium reaction, and partly hydrolysis, lost a ethyl, finally and diazo of 4-Aminonaphthalene-1-sulfonic acid matches.
Upstream & downstream products
Upstream raw materials
Suppliers4 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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