1-Naphthalenesulfonic acid, 6-diazo-5,6-dihydro-5-oxo-, ester with phenyl(2,3,4-trihydroxyphenyl)methanone

HCID 110384

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Basic information

CAS: 68510-93-0
Standard SMILES: N=NN=NC1=CCc2c(cccc2S(=O)(=O)Oc2ccc(C(=O)c3ccc(O)c(O)c3O)cc2)C1=O
InChIKey: WVRFNJXNBZHDGZ-UHFFFAOYSA-N
Molecular formula: C23H16N4O8S
Average molar mass: 508.5 g/mol
Monoisotopic mass: 508.06888465

Names & identifiers

Preferred name: 1-Naphthalenesulfonic acid, 6-diazo-5,6-dihydro-5-oxo-, ester with phenyl(2,3,4-trihydroxyphenyl)methanone
IUPAC: [4-(2,3,4-trihydroxybenzoyl)phenyl] 6-(diazenyldiazenyl)-5-oxo-8H-naphthalene-1-sulfonate
English name: 2,3,4-Trihydroxybenzophenone naphthoquinone-1,2-diazido-5-sulfonate
Molecular formula: C23H16N2O8S
Molecular weight: 480.45

Names & synonyms

EINECS 270-931-71-Naphthalenesulfonic acid, 6-diazo-5,6-dihydro-5-oxo-, ester with phenyl(2,3,4-trihydroxyphenyl)methanone1-Naphthalenesulfonic acid, 6-diazo-5,6-dihydro-5-oxo-, ester withphenyl(2,3,4-trihydroxyphenyl)methanoneRefChem:434962DTXCID401478375270-931-768510-93-0DTXSID80988170[4-(2,3,4-trihydroxybenzoyl)phenyl] 6-(diazenyldiazenyl)-5-oxo-8H-naphthalene-1-sulfonateSCHEMBL17501897SCHEMBL30924953WVRFNJXNBZHDGZ-UHFFFAOYSA-N

Show more names

Photoinitiator 3125Photoinitiator 32152,3,4-trihydroxybenzophenone 2,1,5-diazonaphthoquinone SO42,3,4-TRIHYDROXYBENZOPHENONE1,2-NAPHTHOQUINONEDIAZIDE-5-SULFONATE2,3,4-Trihydroxybenzophenone naphthoquinone-1,2-diazido-5-sulfonate2,3,4-Trihydroxybenzophenone-1-oxo-2-diazonaphthoquinone-5-sulfonatePhotosensitizer(2,3,4-Trihydroxybenzophenone1,2-Naphthoquinone-5-Sulfonate)1-Naphthalenesulfonic acid, 6-diazo-5,6-dihydro-5-oxo-, ester with phenyl(22-diazo-1-naphthol-5-sulfonic acid, ester with 2,3,4-trihydroxy benzophenone2,3,4-Trihydroxybenzophenone-1,2-naphthoquinonediazido-5-sulfonic acid ester

NS00126485

Database identifiers

CAS: 68510-93-0
PubChem CID: 110384
EC Number: 270-931-7

Properties

Computed structural properties

XLogP: 5.6
Topological polar surface area: 208 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 12
Rotatable bonds: 7
Heavy atoms: 36
Formal charge: 0
Complexity: 1,020

Experimental & physicochemical properties

Physical DescriptionCBI

Physicochemical properties

Density: 1.39 g/cm3 · 1.39g/cm3 at 20℃
vapor pressure: 0 Pa · 0Pa at 25℃
form: Solid:particulate/powder
InChI: InChI=1S/C13H10O4.C10H6N2O4S/c14-10-7-6-9(12(16)13(10)17)11(15)8-4-2-1-3-5-8;11-12-8-5-4-6-7(10(8)13)2-1-3-9(6)17(14,15)16/h1-7,14,16-17H;1-5H,(H,14,15,16)
InChIKey: USSYSRZPXRRPHJ-UHFFFAOYSA-N
SMILES: C(C1C=CC=CC=1)(C1C=CC(O)=C(O)C=1O)=O.S(C1C=CC=C2C(C(=[N+]=[N-])C=CC=12)=O)(O)(=O)=O
LogP: 2.4 · 2.4-3.9
Surface tension: 72.03 · 72.03-72.46mN/m at 15.94mg/L and 20℃
EPA Substance Registry System: 1 · 1-Naphthalenesulfonic acid, 6-diazo-5,6-dihydro-5-oxo-, ester with phenyl(2,3,4-trihydroxyphenyl)methanone (68510-93-0)
Symbol(GHS): 7 · GHS07,GHS02,GHS09
Signal word: Danger
Hazard statements: 351 · H351-H412-H315-H242-H228
Precautionary statements: 273 · P273-P501-P264-P280-P302+P352-P321-P332+P313-P362-P210-P240-P241-P280-P370+P378-P201-P202-P281-P308+P313-P405-P501-P210-P220-P234-P280-P370+P378-P403+P235-P411-P420-P501
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 · 5 items

This chemical does not meet GHS hazard criteria for 80.9% (55 of 68) of all reports.

Danger

H228 (19.1%): Flammable solid [Danger Flammable solids]

P210, P234, P235, P240, P241, P264, P273, P280, P302+P352, P321, P332+P317, P362+P364, P370+P378, P403, P410, P411, P420, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 68 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 3 items

Chemical: 1-Naphthalenesulfonic acid, 6-diazo-5,6-dihydro-5-oxo-, ester with phenyl(2,3,4-trihydroxyphenyl)methanone

1-Naphthalenesulfonic acid, 6-diazo-5,6-dihydro-5-oxo-, ester with phenyl(2,3,4-trihydroxyphenyl)methanone is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Naphthalenesulfonic acid, 6-diazo-5,6-dihydro-5-oxo-, ester with phenyl(2,3,4-trihydroxyphenyl)methanone are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

REACH registered substance: 1-Naphthalenesulfonic acid, 6-diazo-5,6-dihydro-5-oxo-, ester with phenyl(2,3,4-trihydroxyphenyl)methanone (EC: 270-931-7)

Hazard Classes and CategoriesFlam. Sol. 2 (19.1%)

Safety data

tsca: TSCA listed
Signal word: Danger
Symbol(GHS): GHS07,GHS02,GHS09
Hazard statements: H351-H412-H315-H242-H228
REACH Registrations: Active
Precautionary statements: P273-P501-P264-P280-P302+P352-P321-P332+P313-P362-P210-P240-P241-P280-P370+P378-P201-P202-P281-P308+P313-P405-P501-P210-P220-P234-P280-P370+P378-P403+P235-P411-P420-P501

Chemistry & industry

Uses & manufacturing

U.S. Production2023: <50,000 lb

Consumer UsesSemiconductor and photovoltaic agent

Industry UsesSemiconductor and photovoltaic agent

General Manufacturing Information · 2 items

Electrical Equipment, Appliance, and Component Manufacturing

1-Naphthalenesulfonic acid, 6-diazo-5,6-dihydro-5-oxo-, ester with phenyl(2,3,4-trihydroxyphenyl)methanone: ACTIVE

Suppliers49 total

湖北蝶化新材料科技有限公司86-18372897-544 18995560451 · [email protected]

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

医格尔（上海）药业有限公司+86-2160290089 +86-13884467586 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

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