基本情報
- CAS
52551-67-4- 標準SMILES
O=[N+]([O-])c1ccc(N(CCO)CCO)c(O)c1- InChIKey
ULLVPKLPBOZYMK-UHFFFAOYSA-N- 分子式
- C10H14N2O5
- 平均分子量
- 242.23 g/mol
- 単同位体質量
- 242.09027155
名称と識別子
- 優先名称
- 2-(Bis(2-hydroxyethyl)amino)-5-nitrophenol
- IUPAC
- 2-[bis(2-hydroxyethyl)amino]-5-nitrophenol
- 現地名
- 2-[ビス(2-ヒドロキシエチル)アミノ]-5-ニトロフェノール
- 英語名
- 2-[bis(2-hydroxyethyl)amino]-5-nitrophenol
- 分子式
- C10H14N2O5
- 分子量
- 242.23
名称と別名
2-[Bis(2-hydroxyethyl)amino]-5-nitrophenol52551-67-42-(Bis(2-hydroxyethyl)amino)-5-nitrophenolPhenol, 2-(bis(2-hydroxyethyl)amino)-5-nitro-YY8A051A3X2,2'-((2-Hydroxy-4-nitrophenyl)imino)bis(ethanol)DTXSID2068765Phenol, 2-[bis(2-hydroxyethyl)amino]-5-nitro-RefChem:1061482DTXCID7041209258-002-4HC Yellow 4 (incorrect usage)
名称をさらに表示
2-[ビス(2-ヒドロキシエチル)アミノ]-5-ニトロフェノールNcgc00091524-012-(BIS-(2-HYDROXYETHYL)AMINO)-5-NITROPHENYLPhenol, 2-bis(2-hydroxyethyl)amino-5-nitro-
HC Yellow No. 4 (incorrect usage)HSDB 4336EINECS 258-002-4UNII-YY8A051A3XHC Yellow #4 (incorrect usage)SCHEMBL110420DB-346637NS00013733
データベース識別子
- CAS
52551-67-4- PubChem CID
- 40411
- DTXSID
DTXSID2068765- UNII
- YY8A051A3X
- EC Number
- 258-002-4
- Nikkaji
- J295.694B
物性
構造計算による物性
- XLogP
- 0.2
- 極性表面積
- 110 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 6
- 回転可能結合数
- 5
- 重原子数
- 17
- 形式電荷
- 0
- 複雑度
- 239
実験および物理化学的性質
CosmeticsHair dyeing
物理化学的性質
- 沸点
- 385.05 °C · 385.05°C (rough estimate)
- 比重(密度)
- 1.3129 · 1.3129 (rough estimate)
- 屈折率
- 1.5 · 1.5000 (estimate)
- EPAの化学物質情報
- 2 · 2-[Bis(2-hydroxyethyl)amino]-5-nitrophenol (52551-67-4)
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 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: Phenol, 2-[bis(2-hydroxyethyl)amino]-5-nitro-
Phenol, 2-bis(2-hydroxyethyl)amino-5-nitro-: 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.
Special ReportsDHHS/NTP; Toxicology & Carcinogenesis Studies of 4-Vinyl-1-cyclohexene diepoxide in F344/N Rats and B6C3F1 Mice (Dermal Studies) Technical Report Series No. 362 (1989) NIH Publication No 90-2817
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
毒性情報
Ongoing Test Status
The following link will take the user to the National Toxicology Program (NTP) Test Agent Search Results page, which tabulates all of the "Standard Toxicology & Carcinogenesis Studies", "Developmental Studies", and "Genetic Toxicity Studies" performed with this chemical. Clicking on the "Testing Status" link will take the user to the status (i.e., in review, in progress, in preparation, on test, completed, etc.) and results of all the studies that the NTP has done on this chemical. [http://ntp-apps.niehs.nih.gov/ntp_tox/index.cfm?fuseaction=ntpsearch.searchresults&searchterm=59820-43-8]
安全データ
- tsca
- TSCA listed
- 有毒物質データの
- 52551-67-4(Hazardous Substances Data)
化学と産業
用途と製造
UsesDYE IN SEMI-PERMANENT HAIR DYE FORMULATIONS
U.S. Exports
(1977) No Data
(1979) No Data
U.S. Imports
(1977) No Data
(1979) No Data
U.S. Production
(1976) PROBABLY LESS THAN 2.3X10+6 GRAMS
(1979) NOT PRODUCED COMMERCIALLY IN US
Consumption PatternsESSENTIALLY 100% AS HAIR DYE INGREDIENT
Use ClassificationCosmetics -> Hair dyeing
General Manufacturing InformationPhenol, 2-[bis(2-hydroxyethyl)amino]-5-nitro-: INACTIVE
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