3-ジエチルアミノ-6-メチル-7-アニリノフルオラン

2-Anilino-3-methyl-6-diethylaminofluoran

HCID 122402CAS 29512-49-0

部分構造検索類似構造を探す

基本情報

標準SMILES: CCN(CC)c1ccc2c(c1)Oc1cc(C)c(Nc3ccccc3)cc1C21OC(=O)c2ccccc21
InChIKey: WQFYAGVHZYFXDO-UHFFFAOYSA-N
分子式: C31H28N2O3
平均分子量: 476.6 g/mol
単同位体質量: 476.20999276

名称と識別子

優先名称: 2-Anilino-3-methyl-6-diethylaminofluoran
IUPAC: 2'-anilino-6'-(diethylamino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
現地名: 3-ジエチルアミノ-6-メチル-7-アニリノフルオラン
英語名: 7-Anilino-3-diethylamino-6-methyl fluoran
分子式: C31H28N2O3
分子量: 476.57

名称と別名

29512-49-0tricetylamineSpiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-(diethylamino)-3'-methyl-2'-(phenylamino)-2-Anilino-3-methyl-6-diethylaminofluoran7-Anilino-3-diethylamino-6-methylfluoran8C4BY0JL9AEINECS 249-676-0ARMEEN-316DTXSID0029347Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 6'-(diethylamino)-3'-methyl-2'-(phenylamino)-2'-Anilino-6'-(diethylamino)-3'-methylspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one2'-Anilino-6'-(diethylamino)-3'-methylspiro(isobenzofuran-1(3H),9'-(9H)xanthene)-3-one

名称をさらに表示

3-ジエチルアミノ-6-メチル-7-アニリノフルオラン2′-アニリノ-3′-メチル-6′-(ジエチルアミノ)スピロ[イソベンゾフラン-1(3H),9′-[9H]キサンテン]-3-オン7-アニリノ-3-(ジエチルアミノ)-6-メチルスピロ[9H-キサンテン-9,1′(3′H)-イソベンゾフラン]-3′-オン6-ジエチルアミノ-3-メチル-2-アニリノフルオラン3′-(ジエチルアミノ)-6′-メチル-7′-(フェニルアミノ)スピロ[イソベンゾフラン-3(1H),9′-[9H]キサンテン]-1-オン2-アニリノ-3-メチル-6-(ジエチルアミノ)スピロ[9H-キサンテン-9,1′(3′H)-イソベンゾフラン]-3′-オン2-アニリノ-6-(ジエチルアミノ)-3-メチルスピロ[9H-キサンテン-9,3′(1′H)-イソベンゾフラン]-1′-オン3-(ジエチルアミノ)-6-メチル-7-(フェニルアミノ)スピロ[9H-キサンテン-9,1′(3′H)-イソベンゾフラン]-3′-オン3-(ジエチルアミノ)-6-メチル-7-アニリノスピロ[9H-キサンテン-9,3′-イソベンゾフラン]-1′-オン2-(フェニルアミノ)-3-メチル-6-(ジエチルアミノ)スピロ[9H-キサンテン-9,1′(3′H)-イソベンゾフラン]-3′-オン6′-(ジエチルアミノ)-3′-メチル-2′-アニリノスピロ[イソベンゾフラン-1(3H),9′-[9H]キサンテン]-3-オン3'-(ジエチルアミノ)-6'-メチル-7'-(フェニルアミノ)-3H-スピロ[2-ベンゾフラン-1,9'-キサンテン]-3-オンODB-1WinCon-1N102CK-34Melanin-1One Dye BlackOne Dye Black 1 (ODB-1)Heat(Pressure) Sensitive Black TF-BL12-benzyl-6-amino-3-diethylamino fluoran

RefChem:465237DTXCID5093477-Anilino-3-diethylamino-6-methyl fluoranOne Dye Black 16'-(Diethylamino)-3'-methyl-2'-(phenylamino)-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one2'-anilino-6'-(diethylamino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-oneMFCD006035232'-Anilino-6'-(diethylamino)-3'-methylfluoran

データベース識別子

CAS: 29512-49-0
PubChem CID: 122402
DTXSID: DTXSID0029347
UNII: 8C4BY0JL9A
EC Number: 249-676-0
Nikkaji: J87.347K

物性

構造計算による物性

XLogP: 6.9
極性表面積: 50.8 Å²
水素結合供与体数: 1
水素結合受容体数: 5
回転可能結合数: 5
重原子数: 36
形式電荷: 0
複雑度: 780

実験および物理化学的性質

Physical DescriptionDry Powder

物理化学的性質

融点: 195 · 195-197 °C
沸点: 673.9 · 673.9±55.0 °C(Predicted)
比重(密度): 1.3 · 1.30±0.1 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C(protect from light)
酸解離定数(Pka): 4.94 · 4.94±0.20(Predicted)
CAS データベース: 29512 · 29512-49-0(CAS DataBase Reference)
EPAの化学物質情報: 7 · 7-Anilino-3-diethylamino-6-methylfluoran (29512-49-0)

安全と法規制

GHS分類

GHS Classification · 3 件

This chemical does not meet GHS hazard criteria for 93% (107 of 115) of all reports.

Not Classified

Aggregated GHS information provided per 115 reports by companies from 4 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 3 件

Chemical: Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-(diethylamino)-3'-methyl-2'-(phenylamino)-

Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-(diethylamino)-3'-methyl-2'-(phenylamino)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-(diethylamino)-3'-methyl-2'-(phenylamino)- 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)

Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-(diethylamino)-3'-methyl-2'-(phenylamino)-: 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.

Hazard Classes and CategoriesNot Classified

安全データ

tsca: TSCA listed

化学と産業

用途と製造

U.S. Production2023: <50,000 lb

Industry UsesDye

General Manufacturing Information · 2 件

Paper Manufacturing

Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-(diethylamino)-3'-methyl-2'-(phenylamino)-: ACTIVE

サプライヤー50 社

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