基本情報
- CAS
25620-78-4- 標準SMILES
Nc1ccc(C(O)(c2ccc(N)cc2)c2ccc(N)cc2)cc1- InChIKey
KRVRUAYUNOQMOV-UHFFFAOYSA-N- 分子式
- C19H19N3O
- 平均分子量
- 305.4 g/mol
- 単同位体質量
- 305.15281224
名称と識別子
- 優先名称
- Tris(p-aminophenyl)methanol
- IUPAC
- tris(4-aminophenyl)methanol
- 現地名
- パラローズアニリン
- 英語名
- CI 42500
- 分子式
- C19H19N3O
- 分子量
- 305.37
名称と別名
Pararosaniline baseTris(4-aminophenyl)methanolTRIS(P-AMINOPHENYL)METHANOLFuchsin dye baseParafuchsin carbinolTris (4-aminophenyl) carbinolMethanol, tris(4-aminophenyl)-4,4',4''-Triaminotrityl alcohol4,4',4''-TriaminotriphenylcarbinolBenzenemethanol, 4-amino-.alpha.,.alpha.-bis(4-aminophenyl)-25620-78-4UNII-5YB58864V4
名称をさらに表示
パラローズアニリンパラローズアニリン(ベース)パラローザニリンパラロザニリンベースパラローズアリニンベース4,4′,4′′-トリアミノトリフェニルカルビノール4-アミノ-α,α-ビス(4-アミノフェニル)ベンゼンメタノールパラローザニリン塩基4,4′,4′′-トリアミノトリチルアルコールトリス(p-アミノフェニル)メタノールトリス(4-アミノフェニル)メタノールMAGENTA OPARAFUCHSINPARAROSANILINEROSANILINE BASEPay rose anilineBASIC PARAFUCHSINPararosaniline>fuchsindyebase[qr]TIMTEC-BB SBB006507
HSDB 6128EINECS 207-395-05YB58864V4METHANOL, TRIS(P-AMINOPHENYL)-Benzenemethanol, 4-amino-alpha,alpha-bis(4-aminophenyl)-DTXSID7060049TRIS(P-AMINOPHENYL)METHANOL [HSDB]RefChem:192142
データベース識別子
- CAS
25620-78-4、467-62-9- PubChem CID
- 10084
- DTXSID
DTXSID7060049- ChEMBL
CHEMBL119866- UNII
- 5YB58864V4
- EC Number
- 207-395-0、996-475-5
- Nikkaji
- J5.911K
物性
構造計算による物性
- XLogP
- 2.2
- 極性表面積
- 98.3 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 4
- 回転可能結合数
- 3
- 重原子数
- 23
- 形式電荷
- 0
- 複雑度
- 310
実験および物理化学的性質
Chemical ClassesDyes -> Di- and Triaryl Dyes
Endocrine DisruptorsPotential endocrine disrupting compound
Melting PointMelting point with decomposition - 205 °C
Physical DescriptionPowder; [MSDSonline]
Other Experimental Properties
The hydrochloride salt, basic parafuchsine and this cmpd (the free base) are readily converted in aq soln from one to another by the addition of acid or base.
dye content approx 95%
物理化学的性質
- 融点
- 205 °C · 205 °C (dec.)(lit.)
- 沸点
- 598.9 · 598.9±50.0 °C(Predicted)
- 比重(密度)
- 1.287 · 1.287±0.06 g/cm3(Predicted)
- 蒸気圧
- 0 Pa · 0Pa at 25℃
- 貯蔵温度
- Refrigerator, under inert atmosphere
- 溶解性
- DMSO (わずかに、超音波処理)、Merhanol (わずかに、超音波処理)
- 酸解離定数(Pka)
- 14.12 · 14.12±0.29(Predicted)
- 外見
- 結晶性粉末
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 4.5% (2 of 44) of reports.
Warning
H351 (95.5%): Suspected of causing cancer [Warning Carcinogenicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 5 notifications to the ECHA C&L Inventory.
Danger
危険有害性情報
Regulatory InformationREACH registered substance: 4,4',4''-triaminotrityl alcohol (EC: 207-395-0)
Hazards Summary
The term pararosaniline is used ambiguously in literature, sometimes referring to the free base, tris(p-aminophenol) methanol (CAS # 467-62-9), but more frequently referring to the hydrochloride salt (CAS # 569-61-9); Pararosaniline: Lifetime intragastric dosing of hamsters and rats causes rapid weight loss, diarrhea, and shortened lifespan, but no evidence of treatment related lesions or tumors; Mutagenic activity observed in reverse mutation assay on rat urine, but all other studies for mutagenicity negative; Emergency treatment: Methemoglobinemia; [HSDB] See Magenta.
Special ReportsITC/USEPA; Information Review #347 (Revised Draft) Pararosaniline (1984)
TSCA Requirements
TSCA 1982 list of chemicals selected for review by ITC.
Proposed rule requires manufacturers of this chemical to report preliminary assessment information concerned with production, use, and exposure to EPA.
Hazard Classes and Categories
Carc. 2 (95.5%)
Carc. 1B (100%)
安全と保護具
化学と産業
用途と製造
Uses
Pararosaniline: Used as a dye intermediate and as a component of basic fuchsin dye for textiles, leather, and paper; [HSDB]
Component of basic fuchsin, a dye which is used in the coloring of textiles, leather, paper products and china clay products, as a filter dye in photography, as a microbiological stain and as a dye intermediate. /Pararosaniline/
Used in the preparation of organic pigments for printing inks and for the paper printing trade, for high speed photoduplicating and photoimaging systems; in the manufacture of carbon paper; in ink for typewriter ribbons; in jet printing for high speed computer applications; in the coloration of fur, anodized aluminum, glass, waxes, polishes, soaps, plastics, drugs and cosmetics, and in specialty applications such as tinting automobile antifreeze solutions and toilet sanitary preparations /Triphenylmethane/
U.S. Production(1977) 1 to 10 million lb /free base and hydrochloride salt/
Methods of ManufacturingTEN TRIS(P-AMINOPHENYL)CARBONIUM SALTS, INCLUDING TRIS(P-AMINOPHENYL)METHANOL, WERE PREPARED AS WATER SOLUBLE SALTS & WATER INSOLUBLE ETHERS WHICH COULD BE USED FOR THE STERILIZATION OF BLOOD CONTAMINATED BY TRYPANOSOMA CRUZI.
General Manufacturing Information
Benzenemethanol, 4-amino-.alpha.,.alpha.-bis(4-aminophenyl)-: ACTIVE
The literature is frequently ambiguous when referring to pararosaniline; sometimes the term signifies the free base, tris(p-aminophenol) methanol (CAS # 467-62-9) but more often it signifies the hydrochloride salt form of the compound (CAS # 569-61-9)
調製方法
純化方法Dissolve the dye in EtOH (1.16g in 30mL), filter and add aqueous NH3 till neutral (colourless) and precipitate it by adding H2O giving 0.8g, m 247o(dec, sintering at 230o). Dissolve it in EtOH, neutralise with NH3 till colourless, add 0.1g of charcoal, filter, and repeat, then add H2O (100mL) to precipitate the colourless carbinol (pseudo-base) and dry it in vacuo, m 257o(dec, also 205o, sintering at 232o). [Weissberger & Theile J Chem Soc 148 1934.] The carbinol is slightly soluble in H2O but is soluble in acids (e.g. HCl to give the coloured chloride [569-61-9]) and EtOH [pK: Goldacre & Phillips J Chem Soc 172 1949]. The perchlorate (dark red with a green shine) has m 300o and explodes at 317o [Dilthey & Diaklage J Prakt Chem [2] 129 1931]. [Beilstein 13 IV 2283.]
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