基本情報
- CAS
65392-81-6- 標準SMILES
CCN(CC)c1ccc2c(-c3ccc(C(=O)[O-])cc3C(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1.[Na+]- InChIKey
QSDRVNJWBDNNPE-UHFFFAOYSA-M- 分子式
- C29H29N2NaO5
- 平均分子量
- 508.5 g/mol
- 単同位体質量
- 508.19741631
名称と識別子
- 優先名称
- Xanthylium, 9-(2,4-dicarboxyphenyl)-3,6-bis(diethylamino)-, inner salt, sodium salt (1:1)
- IUPAC
- sodium 4-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]benzene-1,3-dicarboxylate
名称と別名
Xanthylium, 9-(2,4-dicarboxyphenyl)-3,6-bis(diethylamino)-, inner salt, sodium saltEINECS 265-730-6DTXSID7042512Xanthylium, 9-(2,4-dicarboxyphenyl)-3,6-bis(diethylamino)-, hydroxide, inner salt, sodium saltXanthylium, 9-(2,4-dicarboxyphenyl)-3,6-bis(diethylamino)-, inner salt, sodium salt (1:1)Xanthylium, 9-(2,4-dicarboxyphenyl)-3,6-bis(diethylamino)-, hydroxide, inner salt, monosodium saltHydrogen 9-(2,4-dicarboxylatophenyl)-3,6-bis(diethylamino)xanthylium, sodium saltRefChem:902289DTXCID5022512265-730-665392-81-6QSDRVNJWBDNNPE-UHFFFAOYSA-M
名称をさらに表示
Sodium 4-[3,6-bis(diethylamino)xanthen-10-ium-9-yl]benzene-1,3-dicarboxylate
データベース識別子
- CAS
65392-81-6- PubChem CID
- 65231
- DTXSID
DTXSID7042512
物性
構造計算による物性
- 極性表面積
- 95.7 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 6
- 回転可能結合数
- 6
- 重原子数
- 37
- 形式電荷
- 0
- 複雑度
- 925
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 33.3% (1 of 3) of reports.
Warning
H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 3 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
Xanthylium, 9-(2,4-dicarboxyphenyl)-3,6-bis(diethylamino)-, inner salt, sodium 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.
Hazard Classes and CategoriesSkin Irrit. 2 (66.7%)
化学と産業
用途と製造
General Manufacturing InformationXanthylium, 9-(2,4-dicarboxyphenyl)-3,6-bis(diethylamino)-, inner salt, sodium salt (1:1): ACTIVE
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