基本情報
- CAS
12224-98-5- 標準SMILES
CCNc1cc2oc3cc(=[NH+]CC)c(C)cc-3c(-c3ccccc3C(=O)OCC)c2cc1C- InChIKey
BRIVWQJCHBUVLE-UHFFFAOYSA-N- 分子式
- C28H31N2O3+
- 平均分子量
- 443.6 g/mol
- 単同位体質量
- 443.23346786
概要
C.i. pigment red 81 is a dark pink powder. (NTP, 1992)
名称と識別子
- 優先名称
- rhodamine 6G cation
- IUPAC
- [9-(2-ethoxycarbonylphenyl)-6-(ethylamino)-2,7-dimethylxanthen-3-ylidene]-ethylazanium
- 現地名
- 3,6-ビス(エチルアミノ)-9-[2-(エトキシカルボニル)フェニル]-2,7-ジメチルキサンチリウム
- 英語名
- Orange 1
- 分子式
- C28H31N2O3+
- 分子量
- 443.57
名称と別名
rhodamine 6G cation12224-98-547724-48-1[9-(2-ethoxycarbonylphenyl)-6-(ethylamino)-2,7-dimethylxanthen-3-ylidene]-ethylazanium63022-06-0923TYK19HG9-(2-(Ethoxycarbonyl)phenyl)-3,6-bis(ethylamino)-2,7-dimethylxanthyliumXanthylium, 9-(2-(ethoxycarbonyl)phenyl)-3,6-bis(ethylamino)-2,7-dimethyl-, molybdatesilicate63022-07-1Rhodamine 6G perchlorateXanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, molybdatesilicateRHQ
名称をさらに表示
2,7-ジメチル-3,6-ビス(エチルアミノ)-9-[2-(エトキシカルボニル)フェニル]キサンチリウムローダミン5909-[2-(エトキシカルボニル)フェニル]-3,6-ビス(エチルアミノ)-2,7-ジメチルキサンチリウム3,6-ビス(エチルアミノ)-9-[2-(エトキシカルボニル)フェニル]-2,7-ジメチルキサンチリウム9-[2-(エトキシカルボニル)フェニル]-3,6-ビス(エチルアミノ)-2,7-ジメチル-10λ4-キサンテン-10-イリウムHansa orangeRhodamine 590Xanthylium, 9-(2-(ethoxycarbonyl)phenyl)-3,6-(ethylimino)-2,7-dimethyl-9-[2-(Ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium2,7-Dimethyl-3,6-bis(ethylamino)-9-[2-(ethoxycarbonyl)phenyl]xanthylium
物性
構造計算による物性
- XLogP
- 5.1
- 極性表面積
- 61.5 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 4
- 回転可能結合数
- 7
- 重原子数
- 33
- 形式電荷
- 1
- 複雑度
- 823
実験および物理化学的性質
Solubility1 to 5 mg/mL at 65.3 °F (NTP, 1992)
Physical DescriptionC.i. pigment red 81 is a dark pink powder. (NTP, 1992)
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 70% (140 of 200) of all reports.
Danger
H318 (21%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P354+P338, P317, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 200 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
危険有害性情報
Regulatory Information
Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, molybdatesilicate (1:?) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, molybdatesilicate (1:?) 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)
REACH registered substance: Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, molybdatesilicate (EC: 263-793-4)
REACH registered substance: Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, molybdatetungstatephosphate (EC: 235-424-7)
C.I. Pigment red 81: Does not have an individual approval but may be used under an appropriate group standard
Xanthylium, 9-2-(ethoxycarbonyl)phenyl-3,6-bis(ethylamino)-2,7-dimethyl-, molybdatesilicate: 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.
Xanthylium, 9-2-(ethoxycarbonyl)phenyl-3,6-bis(ethylamino)-2,7-dimethyl-, molybdatephosphate: 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.
Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
化学と産業
用途と製造
Uses
It is often used as a tracer dye within water to determine the rate and direction of flow and transport. Rhodamine dyes fluoresce and can thus be detected easily and inexpensively with instruments called fluorometers. Rhodamine dyes are used extensively in biotechnology applications such as fluorescence microscopy, flow cytometry, fluorescence correlation spectroscopy and ELISA.
U.S. Production2021: 21,830 lb
General Manufacturing Information
Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, molybdatetungstatephosphate: ACTIVE
Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, molybdatesilicate (1:?): ACTIVE
Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, molybdatephosphate (1:?): ACTIVE
補足説明
定義ChEBI: A cationic fluorescent dye derived from 9-phenylxanthene.
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