Xanthylium, 3,6-bis(ethylamino)-9-(2-(methoxycarbonyl)phenyl)-2,7-dimethyl-, molybdatetungstatephosphate
基本情報
- CAS
85959-61-1- 標準SMILES
CCN(CC)C1=C[C@@H]2Oc3cc(N(CC)CC)c(C)cc3C(c3ccccc3C(=O)OC)=C2C=C1C- InChIKey
CILQGDJCXHLODI-NDEPHWFRSA-N- 分子式
- C31H38N2O3
- 平均分子量
- 486.6 g/mol
- 単同位体質量
- 486.28824308
名称と識別子
- 優先名称
- Xanthylium, 3,6-bis(ethylamino)-9-(2-(methoxycarbonyl)phenyl)-2,7-dimethyl-, molybdatetungstatephosphate
- IUPAC
- methyl 2-[(4aS)-3,6-bis(diethylamino)-2,7-dimethyl-4aH-xanthen-9-yl]benzoate
- 英語名
- Xanthylium, 3,6-bis(ethylamino)-9-[2-(methoxycarbonyl)phenyl]-2,7-dimethyl-, molybdatetungstatephosphate
- 分子式
- C108H117MoN8O23PW
- 分子量
- 2205.878141
名称と別名
85959-61-1EINECS 289-056-7EC 289-056-7Xanthylium, 3,6-bis(ethylamino)-9-(2-(methoxycarbonyl)phenyl)-2,7-dimethyl-, molybdatetungstatephosphateXanthylium, 3,6-bis(ethylamino)-9-[2-(methoxycarbonyl)phenyl]-2,7-dimethyl-, molybdatetungstatephosphateRefChem:195203289-056-7Xanthylium, 3,6-bis(ethylamino)-9-2-(methoxycarbonyl)phenyl-2,7-dimethyl-, molybdatetungstatephosphatemethyl 2-[(4aS)-3,6-bis(diethylamino)-2,7-dimethyl-4aH-xanthen-9-yl]benzoateSCHEMBL21436541SCHEMBL29389061CILQGDJCXHLODI-NDEPHWFRSA-N
名称をさらに表示
Pigment Red 81:4C.I. Pigment Red 81:4Pigment red 81:4 (C.I. 45161:5)3,6-Bis(ethylamino)-9-[2-(methoxycarbonyl)phenyl]-2,7-dimethylxanthylium molybdate tungstate phosphateXanthylium, 3,6-bis(ethylamino)-9-[2-(methoxycarbonyl)phenyl]-2,7-dimethyl-, molybdatetungstatephosphatelybdatetungstatephosphate
DTXSID201015323Xanthylium, 3,6-bis(ethylamino)-9-(2-(methoxycarbonyl)phenyl)-2,7-dimethyl-, molybdatetungstatephosphat
物性
構造計算による物性
- XLogP
- 5.9
- 極性表面積
- 42 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 5
- 回転可能結合数
- 9
- 重原子数
- 36
- 形式電荷
- 0
- 複雑度
- 882
物理化学的性質
- 比重(密度)
- 2.54 · 2.54[at 20℃]
- 蒸気圧
- 0.001 Pa · 0.001Pa at 25℃
- 水溶解度
- 10 μg/L · 10μg/L at 20℃
- EPAの化学物質情報
- 3 · Xanthylium, 3,6-bis(ethylamino)-9-[2-(methoxycarbonyl)phenyl]-2,7-dimethyl-, molybdatetungstatephosphate (85959-61-1)
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 3.2% (4 of 126) of reports.
Warning
H319 (82.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 126 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: Xanthylium, 3,6-bis(ethylamino)-9-[2-(methoxycarbonyl)phenyl]-2,7-dimethyl-, molybdate tungstate phosphate
REACH registered substance: Xanthylium, 3,6-bis(ethylamino)-9-[2-(methoxycarbonyl)phenyl]-2,7-dimethyl-, molybdatetungstatephosphate (EC: 289-056-7)
Xanthylium, 3,6-bis(ethylamino)-9-2-(methoxycarbonyl)phenyl-2,7-dimethyl-, molybdatetungstatephosphate: 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 CategoriesEye Irrit. 2 (82.5%)
安全データ
- tsca
- TSCA listed
化学と産業
用途と製造
General Manufacturing InformationXanthylium, 3,6-bis(ethylamino)-9-[2-(methoxycarbonyl)phenyl]-2,7-dimethyl-, molybdatetungstatephosphate: ACTIVE
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