基本情報
- CAS
64381-99-3- 標準SMILES
CC(=O)[O-].CCN(CC)c1ccc2c(-c3ccccc3C(=O)O)c3ccc(=[N+](CC)CC)cc-3oc2c1- InChIKey
RWYDZCISLBOUMH-UHFFFAOYSA-N- 分子式
- C28H31N2O3.C2H3O2
- 平均分子量
- 502.6 g/mol
- 単同位体質量
- 502.24677219
名称と識別子
- 優先名称
- Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, acetate (1:1)
- IUPAC
- [9-(2-carboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethylazanium acetate
- 英語名
- 9-(2-carboxyphenyl)-3,6-bis(diethylamino)xanthylium acetate
- 分子式
- C30H34N2O5
- 分子量
- 502.61
名称と別名
Rhodamine B acetate64381-99-39-(2-Carboxyphenyl)-3,6-bis(diethylamino)xanthylium acetateGF4QL1R87HDTXSID8070091Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, acetateXanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, acetate (1:1)RefChem:179233DTXCID4044296264-859-5EINECS 264-859-5UNII-GF4QL1R87H
名称をさらに表示
AKA214CI 45170, ACETATESCHEMBL29510237AKA-214C.I. 45170, ACETATED&C RED NO. 20 (DELISTED)DB-220057NS00019404
データベース識別子
- CAS
64381-99-3- PubChem CID
- 65230
- DTXSID
DTXSID8070091- UNII
- GF4QL1R87H
- EC Number
- 264-859-5
物性
構造計算による物性
- 極性表面積
- 92.9 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 6
- 回転可能結合数
- 7
- 重原子数
- 37
- 形式電荷
- 0
- 複雑度
- 836
物理化学的性質
- 沸点
- 88 · 88-275℃[at 101 325 Pa]
- 比重(密度)
- 1.082 · 1.082-1.1[at 20℃]
- 蒸気圧
- 0 Pa · 0Pa at 25℃
- 水溶解度
- 1.162 · 1.162-381808mg/L at 25℃
- LogP
- 3.078 at · 3.078 at 25℃
- EPAの化学物質情報
- 9 · Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, acetate (64381-99-3)
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 9% (14 of 155) of reports.
Danger
H318 (20.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P305+P354+P338, P317, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 155 reports by companies from 8 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, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, acetate
REACH registered substance: 9-(2-carboxyphenyl)-3,6-bis(diethylamino)xanthylium acetate (EC: 264-859-5)
Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, acetate: 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 Dam. 1 (20.6%)
安全データ
- tsca
- TSCA listed
化学と産業
薬理情報
MeSH Pharmacological Classification
Chemicals that emit light after excitation by light. The wave length of the emitted light is usually longer than that of the incident light. Fluorochromes are substances that cause fluorescence in other substances, i.e., dyes used to mark or label other compounds with fluorescent tags.
用途と製造
General Manufacturing InformationXanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, acetate (1:1): ACTIVE
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