基本情報
- CAS
1327-57-7- 標準SMILES
Cc1cc(Nc2ccc(O)cc2)ccc1N- InChIKey
JGXPJGJSAMZYBO-UHFFFAOYSA-N- 分子式
- C13H14N2O
- 平均分子量
- 214.26 g/mol
- 単同位体質量
- 214.11061307
概要
4-amino-4'-hydroxy-3-methyldiphenylamine is a black crystalline solid. (NTP, 1992)
名称と識別子
- 優先名称
- C.I. Sulphur Blue 7
- IUPAC
- 4-(4-amino-3-methylanilino)phenol
- 現地名
- 4-[(4-アミノ-3-メチルフェニル)アミノ]フェノール
- 英語名
- 4-[(4-amino-m-tolyl)amino]phenol
- 分子式
- C13H14N2O
- 分子量
- 214.26
名称と別名
Ursol Blue Grey OM6219-89-24-Amino-4'-hydroxy-3-methyldiphenylamineKayaku Sulphur Blue RPThional Indone Blue RNPhenol, p-(4-amino-m-toluidino)-4-((4-Amino-3-methylphenyl)amino)phenol1327-57-7C.I. Sulphur Blue 73'-Methyl-4'-amino-4-hydroxydiphenylamineC.I. 76565NSC 37093
名称をさらに表示
4-[(4-アミノ-3-メチルフェニル)アミノ]フェノールウルソールブルーグレーOMC.I.765654-[(4-amino-m-tolyl)amino]phenolPhenol, p-(4-amino-m-toluidino).4-(4-AMINO-META-TOLUIDINO)-PHENOL4-(4-amino-3-methylphenylamino)phenol
CCRIS 5960p-(4-Amino-m-toluidino)phenolp-(4-Amino-3-toluidino)phenolEINECS 228-294-87YB07WHF8NPhenol, 4-((4-amino-3-methylphenyl)amino)-BRN 3531234Phenol, 4-[(4-amino-3-methylphenyl)amino]-
データベース識別子
- CAS
1327-57-7、6219-89-2、85586-03-4- PubChem CID
物性
構造計算による物性
- XLogP
- 2.4
- 極性表面積
- 58.3 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 3
- 回転可能結合数
- 2
- 重原子数
- 16
- 形式電荷
- 0
- 複雑度
- 214
実験および物理化学的性質
Chemical ClassesDyes -> Other Dyes
Solubilityless than 1 mg/mL at 68.9 °F (NTP, 1992)
Melting Point320 °F (NTP, 1992)
Physical Description4-amino-4'-hydroxy-3-methyldiphenylamine is a black crystalline solid. (NTP, 1992)
物理化学的性質
- 沸点
- 354.4 °C · 354.4°C (rough estimate)
- 比重(密度)
- 1.085 · 1.0850 (rough estimate)
- 屈折率
- 1.645 · 1.6450 (estimate)
- 酸解離定数(Pka)
- 10.74 · 10.74±0.26(Predicted)
- EPAの化学物質情報
- p-(4-Amino-3-toluidino)phenol (6219-89-2)
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
This chemical does not meet GHS hazard criteria for 100% (7 of 7) of all reports.
Not Classified
危険有害性情報
Regulatory InformationChemical: C.I. Sulfur Blue 7
Fire HazardsFlash point data concerning this compound are not available, however, it is probably combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits toxic fumes. (NTP, 1992)
Reactive GroupPhenols and Cresols
Reactivity Profile4-AMINO-4'-HYDROXY-3-METHYLDIPHENYLAMINE may react with strong oxidizers, mineral acids and bases. (NTP, 1992)
Air and Water ReactionsThis chemical is sensitive to prolonged exposure to air. Insoluble in water.
Hazard Classes and Categories
Acute Tox. 4 (100%)
Not Classified
安全と保護具
化学と産業
用途と製造
Uses
Used as dye for cellulose, leather, paper, and direct printing; [HSDB]
Pulp and Paper Processing [Category: Industry]
DYE FOR CELLULOSE, LEATHER & PAPER
DYE FOR DIRECT PRINTING
U.S. Exports
(1979) No Data
(1981) No Data
U.S. Imports
(1979) 2.50X10+4 GRAMS (PRINCPL CUSTMS DISTS)
(1981) No Data
U.S. Production
(1979) PROBABLY GREATER THAN 2.27X10+6 GRAMS
(1981) PROBABLY GREATER THAN 2.27X10+6 GRAMS
Consumption PatternsESSENTIALLY 100% AS A DYE
Methods of ManufacturingCONDENSATION OF O-TOLUIDINE WITH P-NITROSOPHENOL IN SULFURIC ACID FOLLOWED BY REDUCTION WITH SODIUM TETRASULFIDE & HEATING OF THE RESULTING INDOPHENOL WITH AQUEOUS SODIUM POLYSULFIDE
General Manufacturing Information
C.I. Sulphur Blue 7: ACTIVE
Phenol, 4-[(4-amino-3-methylphenyl)amino]-: INACTIVE
応用分野
一般的な説明Black crystalline solid.
上流・下流製品情報
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