2-アミノ-p-クレゾール
2-Amino-4-methylphenol
基本情報
- CAS
95-84-1- 標準SMILES
Cc1ccc(O)c(N)c1- InChIKey
ZMXYNJXDULEQCK-UHFFFAOYSA-N- 分子式
- C7H9NO
- 平均分子量
- 123.15 g/mol
- 単同位体質量
- 123.06841391
概要
2-amino-4-methylphenol is a brown powder. (NTP, 1992)
名称と識別子
- 優先名称
- 2-Amino-4-methylphenol
- IUPAC
- 2-amino-4-methylphenol
- 現地名
- 2-アミノ-p-クレゾール
- 英語名
- 2-Amino-p-cresol
- 分子式
- C7H9NO
- 分子量
- 123.15
名称と別名
2-Amino-4-methylphenol95-84-12-Amino-p-cresol2-Hydroxy-5-methylaniline3-Amino-4-hydroxytoluene6-Hydroxy-m-toluidine4-Methyl-2-aminophenolPhenol, 2-amino-4-methyl-5-Methyl-2-hydroxyanilinep-Cresol, 2-amino-DTXSID40244881-amino-2-hydroxy-5-methylbenzene
名称をさらに表示
2-アミノ-p-クレゾール2-ヒドロキシ-5-メチルアニリン4-メチル-2-アミノフェノール2-アミノ-4-メチルフェノール2アミノ4クレゾ-ル2‐アミノ‐P‐クレゾールO-AMINO-P-METHYLPHENOL2-AMINO-PARA-CRESOL, 97%CRESAMINEO-AMINO-P-CRESOL2-Amino-p-kresol
9ZV2574SER1-HYDROXY-2-AMINO-4-METHYLBENZENENSC-7630NSC-60737DTXCID804488RefChem:85218202-457-32-Amino-4-cresol
データベース識別子
- CAS
95-84-1- PubChem CID
- 7264
- DTXSID
DTXSID4024488- ChEMBL
CHEMBL224282- ChEBI
CHEBI:39713- UNII
- 9ZV2574SER
- EC Number
- 202-457-3
- Nikkaji
- J95.381D
物性
構造計算による物性
- XLogP
- 1.2
- 極性表面積
- 46.3 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 2
- 回転可能結合数
- 0
- 重原子数
- 9
- 形式電荷
- 0
- 複雑度
- 94.9
実験および物理化学的性質
Chemical ClassesNitrogen Compounds -> Amino Phenols
DrugsPharmaceuticals -> Listed in ZINC15
LogP1.11
Solubilityless than 1 mg/mL at 68 °F (NTP, 1992)
Boiling PointSublimes (NTP, 1992)
Melting Point279 °F (NTP, 1992)
Vapor Pressure0.00308 [mmHg]
Physical Description
2-amino-4-methylphenol is a brown powder. (NTP, 1992)
Brown solid; [CAMEO] Dark brown crystalline solid; [Sigma-Aldrich MSDS]
物理化学的性質
- 融点
- 133 · 133-136 °C(lit.)
- 沸点
- 229.26 °C · 229.26°C (rough estimate)
- 比重(密度)
- 1.0877 · 1.0877 (rough estimate)
- 屈折率
- 1.5706 · 1.5706 (estimate)
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 1.5% (1 of 65) of reports.
Warning
H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 65 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
REACH registered substance: 2-amino-p-cresol (EC: 202-457-3)
Phenol, 2-amino-4-methyl-: Does not have an individual approval but may be used under an appropriate group standard
DOT LabelPoison
Fire HazardsFlash point data for this chemical are not available, however it is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Symptoms of exposure to this compound may include irritation of the skin, eyes and mucous membranes.
Hazards SummaryA skin, eye, and mucous membrane irritant; [NTP] A skin and strong eye irritant; [Sigma-Aldrich MSDS]
Reactive GroupPhenols and Cresols
Reactivity Profile2-AMINO-4-METHYLPHENOL reacts with strong oxidizing agents. (NTP, 1992)
Air and Water ReactionsIt may be sensitive to prolonged exposure to air. Insoluble in water.
化学と産業
用途と製造
UsesUsed as an intermediate for organic chemicals and dyes; [NTP]
General Manufacturing InformationPhenol, 2-amino-4-methyl-: ACTIVE
応用分野
用途有機合成原料。
使用2-Amino-4-methylphenol was used in the synthesis of novel functionalized spiropyran derivatives of 2H-1,3-benzoxazinone series.
一般的な説明Brown powder.
調製方法
純化方法Recrystallise the cresol from H2O, Et2O or toluene. It sublimes in vacuo as plates or needles. The hydrochloride has m 222-224o (dec, from aqueous EtOH). [Beilstein 13 H 601, 13 I 227, 13 II 338, 13 III 1576.]
上流・下流製品情報
上流原料
下流製品
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