2-アミノ-p-クレゾール

2-Amino-4-methylphenol

HCID 7264CAS 95-84-1

基本情報

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

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Amino Phenols
DrugsPharmaceuticals -> Listed in ZINC15
Solubilityless than 1 mg/mL at 68 °F (NTP, 1992)
Boiling PointSublimes (NTP, 1992)
Melting Point279 °F (NTP, 1992)
Vapor Pressure0.00308 [mmHg]

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)
貯蔵温度
Keep in dark place,Inert atmosphere,Room temperature
溶解性
わずかに溶ける

化学的性質

化学的特性White crystal powder

安全と法規制

GHS分類

GHS Classification · 5 件

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 · 2 件

Status: Active Update: 20-02-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/20332

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

安全と保護具

Fire FightingFires involving this compound can be extinguished using a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 件

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 件

SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Isolation and EvacuationExcerpt from ERG Guide 152 [Substances - Toxic (Combustible)]:
Personal Protective Equipment (PPE) · 1 件

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

安全データ

wgk
2
tsca
TSCA listed
rtecs
SJ6078000
hs_code
29222900
risk_code
36/37/38
化審法
(3)-707, (3)-676

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 · 3 件

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.]

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