CAS 12220-64-3 1-naphthalenesulfonic acid, 2-((1-(2,5-dichloro-4-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1h-pyrazol-4-yl)azo)-, disodium salt (HCID 11970362)

基本情報

CAS: 12220-64-3
標準SMILES: CC1=NN(c2cc(Cl)c(S(=O)(=O)[O-])cc2Cl)C(=O)C1N=Nc1ccc2ccccc2c1S(=O)(=O)[O-].[Na+].[Na+]
InChIKey: KRVDIUOUSKADMQ-UHFFFAOYSA-L
分子式: C20H12Cl2N4Na2O7S2
平均分子量: 601.3 g/mol
単同位体質量: 599.93198464

名称と識別子

優先名称: 1-naphthalenesulfonic acid, 2-((1-(2,5-dichloro-4-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1h-pyrazol-4-yl)azo)-, disodium salt
IUPAC: disodium;2-[[1-(2,5-dichloro-4-sulfonatophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]naphthalene-1-sulfonate
現地名: 2-[[1-(2,5-ジクロロ-4-スルホフェニル)-4,5-ジヒドロ-3-メチル-5-オキソ-1H-ピラゾール-4-イル]アゾ]-1-ナフタレンスルホン酸二ナトリウム
英語名: disodium 2-[[1-(2,5-dichloro-4-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]naphthalene-1-sulphonate
分子式: C20H12Cl2N4Na2O7S2
分子量: 601.34742

名称と別名

Disodium 2-[[1-(2,5-dichloro-4-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]naphthalene-1-sulphonateDTXSID208895961-Naphthalenesulfonic acid, 2-((1-(2,5-dichloro-4-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)-, disodium salt1-Naphthalenesulfonic acid, 2-(2-(1-(2,5-dichloro-4-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)diazenyl)-, sodium salt (1:2)1-Naphthalenesulfonic acid, 2-[[1-(2,5-dichloro-4-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-, disodium salt1-Naphthalenesulfonic acid, 2-[2-[1-(2,5-dichloro-4-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]diazenyl]-, sodium salt (1:2)Disodium 2-((1-(2,5-dichloro-4-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)naphthalene-1-sulphonateRefChem:434817DTXCID3010309801-Naphthalenesulfonic acid, 2-1-(2,5-dichloro-4-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-ylazo-, disodium salt235-409-512220-64-3

物性

構造計算による物性

極性表面積: 189 Å²
水素結合供与体数: 0
水素結合受容体数: 10
回転可能結合数: 3
重原子数: 37
形式電荷: 0
複雑度: 1,080

物理化学的性質

CAS データベース: 12220 · 12220-64-3
EPAの化学物質情報: 1 · 1-Naphthalenesulfonic acid, 2-[[1-(2,5-dichloro-4-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-, disodium salt (12220-64-3)

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 80% (4 of 5) of all reports.

Danger

H317 (20%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P233, P260, P261, P271, P272, P280, P284, P302+P352, P304+P340, P321, P333+P317, P342+P316, P362+P364, P403, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Chemical: 1-Naphthalenesulfonic acid, 2-[[1-(2,5-dichloro-4-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-, disodium salt

1-Naphthalenesulfonic acid, 2-1-(2,5-dichloro-4-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-ylazo-, disodium 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 - 1-Naphthalenesulfonic acid, 2-[[1-(2,5-dichloro-4-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-, disodium salt: Human health tier I assessment

安全データ

tsca: TSCA listed

化学と産業

用途と製造

General Manufacturing Information1-Naphthalenesulfonic acid, 2-[2-[1-(2,5-dichloro-4-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]diazenyl]-, sodium salt (1:2): ACTIVE

上流・下流製品情報

上流原料

2-アミノ-1-ナフタレンスルホン酸 3-Methyl-5-pyrazolone

サプライヤー2 社

Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

Alfa Chemistry1-516-6625404 · [email protected]

化合物ノート

読み込み中…

2-[[1-(2,5-ジクロロ-4-スルホフェニル)-4,5-ジヒドロ-3-メチル-5-オキソ-1H-ピラゾール-4-イル]アゾ]-1-ナフタレンスルホン酸二ナトリウム