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2-アミノ-4-(メチルスルホニル)フェノール

Phenol, 2-amino-4-(methylsulfonyl)-

HCID 7382
ノート反応
基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
部分構造検索類似構造を探す

基本情報

CAS
98-30-6
標準SMILES
CS(=O)(=O)c1ccc(O)c(N)c1
InChIKey
SFLMBHYNCSYPOO-UHFFFAOYSA-N
分子式
C7H9NO3S
平均分子量
187.22 g/mol
単同位体質量
187.03031432

概要

2-amino-4-(methylsulfonyl)phenol is a dark brown powder. (NTP, 1992)

名称と識別子

優先名称
Phenol, 2-amino-4-(methylsulfonyl)-
IUPAC
2-amino-4-methylsulfonylphenol
現地名
2-アミノ-4-(メチルスルホニル)フェノール
英語名
2-Amino-4-(methylsulfonyl)phenol
分子式
C7H9NO3S
分子量
187.22

名称と別名

98-30-62-AMINO-4-(METHYLSULFONYL)PHENOL2-Amino-4-(methylsulphonyl)phenolCCRIS 5961Phenol, 2-amino-4-(methylsulfonyl)-EINECS 202-654-4DTXSID8024490RefChem:860827DTXCID904490202-654-44-Methylsulfonyl-2-aminophenol3-Amino-4-hydroxyphenyl Methyl Sulfone
名称をさらに表示
2-アミノ-4-(メチルスルホニル)フェノール2-アミノ-4-(メチルスルホニル)フェノール スルホン3-アミノ-4-ヒドロキシフェニルメチルスルホン2-ヒドロキシ-5-(メチルスルホニル)アニリンAPMS2-amino-4-mesyl-phenol2-AMINOPHENOL-4-METHYLSULPHONE2-Amino-4-Methylsulfonyl Phenol2-azanyl-4-methylsulfonyl-phenolPhenol,2-aMino-4-(Methylsulfonyl)-2-Hydroxy-5-(methylsulfonyl)aniline
2-amino-4-methylsulfonylphenol2-amino-4-methanesulfonylphenolMFCD007194502-amino-4-methylsulfonyl-phenolEN300-786652-amino-4(methylsulfonyl)phenolSVT24HP8UUOprea1_483830

データベース識別子

物性

構造計算による物性

XLogP
0.4
極性表面積
88.8 Ų
水素結合供与体数
2
水素結合受容体数
4
回転可能結合数
1
重原子数
12
形式電荷
0
複雑度
244

実験および物理化学的性質

Solubility1 to 5 mg/mL at 72 °F (NTP, 1992)
Melting Point189 to 190 °F (NTP, 1992)
Physical Description2-amino-4-(methylsulfonyl)phenol is a dark brown powder. (NTP, 1992)

物理化学的性質

融点
156 to · 156.0 to 160.0 °C
沸点
436.3 · 436.3±45.0 °C(Predicted)
比重(密度)
1.419 · 1.419±0.06 g/cm3(Predicted)
貯蔵温度
2 · Storage temp. 2-8°C
酸解離定数(Pka)
7.36 · 7.36±0.18(Predicted)
外見
powder to crystal
色
White to Gray to Brown
InChI
InChI=1S/C7H9NO3S/c1-12(10,11)5-2-3-7(9)6(8)4-5/h2-4,9H,8H2,1H3
InChIKey
SFLMBHYNCSYPOO-UHFFFAOYSA-N
SMILES
C1(O)=CC=C(S(C)(=O)=O)C=C1N
EPAの化学物質情報
2 · 2-Amino-4-(methylsulfonyl)phenol (98-30-6)

化学的性質

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 · 4 件

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 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationREACH registered substance: 2-amino-4-(methylsulphonyl)phenol (EC: 202-654-4)
Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Reactive GroupPhenols and Cresols
Reactivity Profile · 1 件

An aromatic amine and phenol. Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides. Phenols do not behave as organic alcohols, as one might guess from the presence of a hydroxyl (-OH) group in their structure. Instead, they react as weak organic acids. Phenols and cresols are much weaker as acids than common carboxylic acids (phenol has pKa = 9.88). These materials are incompatible with strong reducing substances such as hydrides, nitrides, alkali metals, and sulfides. Flammable gas (H2) is often generated, and the heat of the reaction may ignite the gas. Heat is also generated by the acid-base reaction between phenols and bases. Such heating may initiate polymerization of the organic compound. Phenols are sulfonated very readily (for example, by concentrated sulfuric acid at room temperature). The reactions generate heat. Phenols are also nitrated very rapidly, even by dilute nitric acid.

化学と産業

用途と製造

General Manufacturing InformationPhenol, 2-amino-4-(methylsulfonyl)-: ACTIVE

応用分野

一般的な説明Dark brown powder.

上流・下流製品情報

下流製品

1-[[2-ヒドロキシ-5-(メチルスルホニル)フェニル]アゾ]-2-ナフタレノール/クロム酸,(2:1)Acid black 58

サプライヤー65 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西(上海)生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
普善实业(陕西)有限公司029-81310890 18165209495 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
爱斯特(成都)生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.

関連反応

5 件
反応記録を作成
HRID 196246 の反応式
HRID 196246生成物としてTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 255265 の反応式
HRID 255265反応物としてuspto-grants-2011_01
HRID 255266 の反応式
HRID 255266生成物としてuspto-grants-2011_01
HRID 1644384 の反応式
HRID 1644384反応物としてuspto-grants-2012_02
HRID 1644385 の反応式
HRID 1644385生成物としてuspto-grants-2012_02

化合物ノート

読み込み中…

このページの内容基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
CAS
98-30-6
PubChem CID
7382
DTXSID
DTXSID8024490
UNII
SVT24HP8UU
EC Number
202-654-4
Nikkaji
J64.466H

化学的特性Gray to brown crystalline powder

Air and Water ReactionsSlightly soluble in water.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全と保護具

Fire FightingFires involving this material can be controlled with 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.

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

tsca
TSCA listed
hs_code
2930909899
化審法
(3)-2140
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