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benzenesulfonic acid, 2-((4-((3-methyl-4-((phenylsulfonyl)oxy)phenyl)azo)phenyl)amino)-5-nitro-, monosodium salt

HCID 80840
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
6408-90-8
Standard SMILES
Cc1cc(N=Nc2ccc(Nc3ccc([N+](=O)[O-])cc3S(=O)(=O)[O-])cc2)ccc1OS(=O)(=O)c1ccccc1.[Na+]
InChIKey
JJOZGUHSYVEZEB-UHFFFAOYSA-M
Molecular formula
C25H19N4NaO8S2
Average molar mass
590.6 g/mol
Monoisotopic mass
590.05420021

Names & identifiers

Preferred name
benzenesulfonic acid, 2-((4-((3-methyl-4-((phenylsulfonyl)oxy)phenyl)azo)phenyl)amino)-5-nitro-, monosodium salt
IUPAC
sodium 2-[4-[[4-(benzenesulfonyloxy)-3-methylphenyl]diazenyl]anilino]-5-nitrobenzenesulfonate
English name
Acid yellow 65
Molecular formula
C25H20N4O8S2.Na
Molecular weight
591.57

Names & synonyms

DTXSID30884299Benzenesulfonic acid, 2-((4-((3-methyl-4-((phenylsulfonyl)oxy)phenyl)azo)phenyl)amino)-5-nitro-, monosodium saltBenzenesulfonic acid, 2-[[4-[[3-methyl-4-[(phenylsulfonyl)oxy]phenyl]azo]phenyl]amino]-5-nitro-, monosodium saltBenzenesulfonic acid, 2-((4-(2-(3-methyl-4-((phenylsulfonyl)oxy)phenyl)diazenyl)phenyl)amino)-5-nitro-, sodium salt (1:1)Benzenesulfonic acid, 2-[[4-[2-[3-methyl-4-[(phenylsulfonyl)oxy]phenyl]diazenyl]phenyl]amino]-5-nitro-, sodium salt (1:1)RefChem:564119DTXCID401023750Benzenesulfonic acid, 2-4-3-methyl-4-(phenylsulfonyl)oxyphenylazophenylamino-5-nitro-, monosodium saltACID YELLOW 656408-90-8Sodium 2-((4-((3-methyl-4-((phenylsulphonyl)oxy)phenyl)azo)phenyl)amino)-5-nitrobenzenesulphonatesodium;2-[4-[[4-(benzenesulfonyloxy)-3-methylphenyl]diazenyl]anilino]-5-nitrobenzenesulfonate
Show more names
CI 14170C.I. Acid Yellow 65Acid Yellow 65 (C.I.)acidyellow65(c.i.14170)C.I.Acid Yellow 65:C.I.14170

Properties

Computed structural properties

Topological polar surface area
200 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
11
Rotatable bonds
7
Heavy atoms
40
Formal charge
0
Complexity
1,040

Physicochemical properties

EPA Substance Registry System
2 · Benzenesulfonic acid, 2-[[4-[[3-methyl-4-[(phenylsulfonyl)oxy]phenyl]azo]phenyl]amino]-5-nitro-, monosodium salt (6408-90-8)
TSCA
TSCA listed

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Hazard information

Regulatory Information · 2 items

Chemical: Benzenesulfonic acid, 2-[[4-[[3-methyl-4-[(phenylsulfonyl)oxy]phenyl]azo]phenyl]amino]-5-nitro-, monosodium salt

Benzenesulfonic acid, 2-4-3-methyl-4-(phenylsulfonyl)oxyphenylazophenylamino-5-nitro-, monosodium 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 - Benzenesulfonic acid, 2-[[4-[[3-methyl-4-[(phenylsulfonyl)oxy]phenyl]azo]phenyl]amino]-5-nitro-, monosodium salt: Human health tier I assessment

Safety data

tsca
TSCA listed

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzenesulfonic acid, 2-[[4-[2-[3-methyl-4-[(phenylsulfonyl)oxy]phenyl]diazenyl]phenyl]amino]-5-nitro-, sodium salt (1:1): ACTIVE

Preparation methods

Preparation2-(4-Aminophenylamino)-5-nitrobenzenesulfonic acid diazotization, coupling with o-Cresol, and then use Benzenesulfonyl chloridephenol hydroxyl esterified.

Upstream & downstream products

Upstream raw materials

2-(4-Aminoanilino)-5-nitrobenzenesulphonic acido-CresolBenzenesulfonyl chloride

Suppliers5 total

宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
山西诺诚生物科技有限公司17835231871 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
ACID YELLOW 65 ISO 9001:2015 REACH
benzenesulfonicacid,2-[[4-[[3-methyl-4-[(phenylsulfonyl)oxy]phenyl]azo]phenyl
sodium 2-(4-(3-methyl-4-(phenylsulphonyloxy)phenylazo)phenylimino)-5-nitrobenzenesulphonate
EINECS 229-071-8SCHEMBL2866121NS00046948Sodium 2-[4-({4-[(benzenesulfonyl)oxy]-3-methylphenyl}diazenyl)anilino]-5-nitrobenzene-1-sulfonate

Database identifiers

CAS
6408-90-8
PubChem CID
80840
DTXSID
DTXSID30884299
EC Number
229-071-8