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4-Benzoylbenzene-1,2,3-triyl tris(6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate)

HCID 79715
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
5610-94-6
Standard SMILES
N#[N+]c1ccc2c(S(=O)(=O)Oc3ccc(C(=O)c4ccccc4)c(OS(=O)(=O)c4cccc5c([O-])c([N+]#N)ccc45)c3OS(=O)(=O)c3cccc4c([O-])c([N+]#N)ccc34)cccc2c1[O-]
InChIKey
IYBMFZHGMIRLPI-UHFFFAOYSA-N
Molecular formula
C43H22N6O13S3
Average molar mass
926.9 g/mol
Monoisotopic mass
926.0406983

Names & identifiers

Preferred name
4-Benzoylbenzene-1,2,3-triyl tris(6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate)
IUPAC
5-[4-benzoyl-2,3-bis[(6-diazonio-5-oxidonaphthalen-1-yl)sulfonyloxy]phenoxy]sulfonyl-2-diazonionaphthalen-1-olate
English name
Ester of 2-diazo-1-naphthol-5-sulfone with 2,3,4-trihydroxybenzophenone
Molecular formula
C43H22N6O13S3
Molecular weight
926.86

Names & synonyms

1-Naphthalenesulfonic acid, 6-diazo-5,6-dihydro-5-oxo-, 4-benzoyl-1,2,3-benzenetriyl esterDTXSID708621924-Benzoylbenzene-1,2,3-triyl tris(6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate)1-Naphthalenesulfonic acid, 6-diazo-5,6-dihydro-5-oxo-, 1,1',1''-(4-benzoyl-1,2,3-benzenetriyl) esterRefChem:518426DTXCID201340423227-030-95610-94-6ESTER OF 2-DIAZO-1-NAPHTHOL-5-SULFONE WITH 2,3,4-TRIHYDROXYBENZOPHENONEEINECS 227-030-95-[4-benzoyl-2,3-bis[(6-diazonio-5-oxidonaphthalen-1-yl)sulfonyloxy]phenoxy]sulfonyl-2-diazonionaphthalen-1-olate4-benzoylbenzene-1,2,3-triyl tris(6-diazo-5-oxo-5,6-dihydronaphthalene-1-sulfonate)
Show more names
triylesterlight-sensitive based on trihydroxybenzophenonediazonaphthoquinone ester with trihydroxybenzophenone2,3,4-trisbenzophenone2,1,5-DIAZONAPHTHOQUINONE ESTER WITH 2,3,4-TRIHYDROXYBENZOPHENONE2,3,4-TRIHYDROXYBENZOPHENONETRIS(1,2-NAPHTHOQUINONEDIAZIDE-5-SULFONATE)2,3,4-Trihydroxybenzophenone tris(1,2-naphthoquinone-2-diazide-5-sulfonate)1-naphthalenesulfonicacid,6-diazo-5,6-dihydro-5-oxo-,4-benzoyl-1,2,3-benzene2,3,4-Tris[(5-oxo-6-diazo-5,6-dihydronaphthalene-1-yl)sulfonyloxy]benzophenone
SCHEMBL37923302,3,4-Trihydroxybenzophenone naphthoquinone-1,2-diazido-5-sulfonateNS000448842,3,4-tris(6-diazo-5,6-dihydro-5-oxo-1-naphthalenesulfonyloxy)benzophenone

Database identifiers

CAS
5610-94-6
PubChem CID
79715
DTXSID
DTXSID70862192
EC Number
227-030-9
Nikkaji
J225.053E

Properties

Computed structural properties

XLogP
13.2
Topological polar surface area
326 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
16
Rotatable bonds
11
Heavy atoms
65
Formal charge
0
Complexity
2,240

Physicochemical properties

EPA Substance Registry System
1 · 1-Naphthalenesulfonic acid, 6-diazo-5,6-dihydro-5-oxo-, 4-benzoyl-1,2,3-benzenetriyl ester (5610-94-6)
Symbol(GHS)
2 · GHS02
Signal word
Danger
Hazard statements
242 · H242-H228
Precautionary statements
210 · P210-P220-P234-P280-P370+P378-P403+P235-P411-P420-P501-P210-P240-P241-P280-P370+P378
TSCA
TSCA listed
REACH Registrations
Active

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 · 4 items

Danger

H228 (50%): Flammable solid [Danger Flammable solids]

P210, P234, P235, P240, P241, P280, P370+P378, P403, P410, P411, P420, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Chemical: 1-Naphthalenesulfonic acid, 6-diazo-5,6-dihydro-5-oxo-, 4-benzoyl-1,2,3-benzenetriyl ester

REACH registered substance: 4-benzoylbenzene-1,2,3-triyl tris(6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate) (EC: 227-030-9)

Hazard Classes and CategoriesFlam. Sol. 2 (50%)

Safety data

tsca
TSCA listed
Signal word
Danger
Symbol(GHS)
GHS02
Hazard statements
H242-H228
REACH Registrations
Active
Precautionary statements
P210-P220-P234-P280-P370+P378-P403+P235-P411-P420-P501-P210-P240-P241-P280-P370+P378

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1-Naphthalenesulfonic acid, 6-diazo-5,6-dihydro-5-oxo-, 1,1',1''-(4-benzoyl-1,2,3-benzenetriyl) ester: ACTIVE

Suppliers7 total

陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
天津中信凯泰化工有限公司022-66880623 · [email protected]
杭州宇昊化工科技有限公司0571-82693216 · [email protected]
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD+8613676922317 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
天津中信凯泰化工有限公司86-22-66880623 +8618622897568 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes