Xanthylium, 3,6-bis(ethylamino)-9-[2-(methoxycarbonyl)phenyl]-2,7-dimethyl-, molybdatephosphate
基本情報
- CAS
68310-07-6- 標準SMILES
CCNc1cc2oc3cc(=[NH+]CC)c(C)cc-3c(-c3ccccc3C(=O)OC)c2cc1C.CCNc1cc2oc3cc(=[NH+]CC)c(C)cc-3c(-c3ccccc3C(=O)OC)c2cc1C.CCNc1cc2oc3cc(=[NH+]CC)c(C)cc-3c(-c3ccccc3C(=O)OC)c2cc1C.CCNc1cc2oc3cc(=[NH+]CC)c(C)cc-3c(-c3ccccc3C(=O)OC)c2cc1C.CCNc1cc2oc3cc(=[NH+]CC)c(C)cc-3c(-c3ccccc3C(=O)OC)c2cc1C.O=P([O-])([O-])[O-].[O]=[Mo](=[O])([O-])[O-]- InChIKey
FFMXWIROJGUGCI-UHFFFAOYSA-K- 分子式
- C135H145MoN10O23P
- 平均分子量
- 2,402.6 g/mol
- 単同位体質量
- 2,402.927572
名称と識別子
- 優先名称
- Xanthylium, 3,6-bis(ethylamino)-9-[2-(methoxycarbonyl)phenyl]-2,7-dimethyl-, molybdatephosphate
- IUPAC
- dioxido(dioxo)molybdenum;pentakis(ethyl-[6-(ethylamino)-9-(2-methoxycarbonylphenyl)-2,7-dimethylxanthen-3-ylidene]azanium);phosphate
- 英語名
- Pigment Red 81:3
- 分子式
- C135H145MoN10O23P
- 分子量
- 2402.562761
名称と別名
68310-07-6EINECS 269-695-8Xanthylium, 3,6-bis(ethylamino)-9-(2-(methoxycarbonyl)phenyl)-2,7-dimethyl-, molybdatephosphateXanthylium, 3,6-bis(ethylamino)-9-[2-(methoxycarbonyl)phenyl]-2,7-dimethyl-, molybdatephosphateRefChem:902283DTXSID30894499269-695-8Xanthylium, 3,6-bis(ethylamino)-9-2-(methoxycarbonyl)phenyl-2,7-dimethyl-, molybdatephosphateSCHEMBL21436327dioxido(dioxo)molybdenum;ethyl-[6-(ethylamino)-9-(2-methoxycarbonylphenyl)-2,7-dimethylxanthen-3-ylidene]azanium;phosphateC.I. 45161:2PIGMENT RED 81:3
名称をさらに表示
lybdatephosphatePR81:3 RHODAMINE RED DRYxanthylium molybdate phosphate dyeXanthylium, 3,6-bis(ethylamino)-9-[2-(methoxycarbonyl)phenyl...3,6-bis(ethylamino)-9-[2-(methoxycarbonyl)phenyl]-2,7-dimethyl-xanthyliu mo3,6-Bis(ethylamino)-9-(2-(methoxycarbonyl)phenyl)-2,7-dimethylxanthylium molybdatephosphatedioxido(dioxo)molybdenum,ethyl-[6-(ethylamino)-9-(2-methoxycarbonylphenyl)-2,7-dimethylxanthen-3-ylidene]azanium,phosphate
物性
構造計算による物性
- 極性表面積
- 474 Ų
- 水素結合供与体数
- 10
- 水素結合受容体数
- 28
- 回転可能結合数
- 30
- 重原子数
- 170
- 形式電荷
- 0
- 複雑度
- 906
実験および物理化学的性質
Physical DescriptionLiquid
物理化学的性質
- EPAの化学物質情報
- 3 · Xanthylium, 3,6-bis(ethylamino)-9-[2-(methoxycarbonyl)phenyl]-2,7-dimethyl-, molybdatephosphate (68310-07-6)
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 100% (137 of 137) of all reports.
Not Classified
Aggregated GHS information provided per 137 reports by companies from 2 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: Xanthylium, 3,6-bis(ethylamino)-9-[2-(methoxycarbonyl)phenyl]-2,7-dimethyl-, molybdate phosphate
Xanthylium, 3,6-bis(ethylamino)-9-[2-(methoxycarbonyl)phenyl]-2,7-dimethyl-, molybdatephosphate is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Xanthylium, 3,6-bis(ethylamino)-9-[2-(methoxycarbonyl)phenyl]-2,7-dimethyl-, molybdatephosphate 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)
Xanthylium, 3,6-bis(ethylamino)-9-2-(methoxycarbonyl)phenyl-2,7-dimethyl-, molybdatephosphate: Does not have an individual approval but may be used under an appropriate group standard
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
Consumer UsesPigment
Industry UsesPigment
General Manufacturing Information
Paper Manufacturing
Xanthylium, 3,6-bis(ethylamino)-9-[2-(methoxycarbonyl)phenyl]-2,7-dimethyl-, molybdatephosphate: ACTIVE
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