基本情報
- CAS
68510-93-0- 標準SMILES
N=NN=NC1=CCc2c(cccc2S(=O)(=O)Oc2ccc(C(=O)c3ccc(O)c(O)c3O)cc2)C1=O- InChIKey
WVRFNJXNBZHDGZ-UHFFFAOYSA-N- 分子式
- C23H16N4O8S
- 平均分子量
- 508.5 g/mol
- 単同位体質量
- 508.06888465
名称と識別子
- 優先名称
- 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
- 英語名
- 2,3,4-Trihydroxybenzophenone naphthoquinone-1,2-diazido-5-sulfonate
- 分子式
- C23H16N2O8S
- 分子量
- 480.45
名称と別名
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
名称をさらに表示
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(2
物性
構造計算による物性
- XLogP
- 5.6
- 極性表面積
- 208 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 12
- 回転可能結合数
- 7
- 重原子数
- 36
- 形式電荷
- 0
- 複雑度
- 1,020
実験および物理化学的性質
Physical DescriptionCBI
物理化学的性質
- 比重(密度)
- 1.39 g/cm3 · 1.39g/cm3 at 20℃
- 蒸気圧
- 0 Pa · 0Pa at 25℃
- 外見
- 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
- 表面張力
- 72.03 · 72.03-72.46mN/m at 15.94mg/L and 20℃
- EPAの化学物質情報
- 1 · 1-Naphthalenesulfonic acid, 6-diazo-5,6-dihydro-5-oxo-, ester with phenyl(2,3,4-trihydroxyphenyl)methanone (68510-93-0)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
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.
危険有害性情報
Regulatory Information
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%)
安全データ
- tsca
- TSCA listed
化学と産業
用途と製造
U.S. Production2023: <50,000 lb
Consumer UsesSemiconductor and photovoltaic agent
Industry UsesSemiconductor and photovoltaic agent
General Manufacturing Information
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
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