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2-(2,4-ジニトロアニリノ)フェノール

2-(2,4-Dinitroanilino)phenol

HCID 3100915
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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
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基本情報

CAS
6358-23-2
標準SMILES
O=[N+]([O-])c1ccc(Nc2ccccc2O)c([N+](=O)[O-])c1
InChIKey
IKBVHBLOMZBKQR-UHFFFAOYSA-N
分子式
C12H9N3O5
平均分子量
275.22 g/mol
単同位体質量
275.0542204

概要

2-(2,4-dinitroanilino)phenol appears as orange crystals. (NTP, 1992)

名称と識別子

優先名称
2-(2,4-Dinitroanilino)phenol
IUPAC
2-(2,4-dinitroanilino)phenol
現地名
2-(2,4-ジニトロアニリノ)フェノール
英語名
2-(2,4-dinitroanilino)phenol
分子式
C12H9N3O5
分子量
275.22

名称と別名

2-(2,4-DINITROANILINO)PHENOL6358-23-2Phenol, o-(2,4-dinitroanilino)-2-[(2,4-dinitrophenyl)amino]phenolCCRIS 4629BRN 2818491AI3-168872-Hydroxy-2',4'-dinitrodiphenylamineDTXSID90251602-((2,4-DINITROPHENYL)AMINO)PHENOLRefChem:83934DTXCID505160
名称をさらに表示
2-[(2,4-ジニトロフェニル)アミノ]フェノール2-(2,4-ジニトロアニリノ)フェノールPhenol, o-(2,4-dinitroanilino).
2'-HYDROXY-2,4-DINITRODIPHENYLAMINE3-13-00-00764 (Beilstein Handbook Reference)IKBVHBLOMZBKQR-UHFFFAOYSA-NNSC 404109Phenol,2-[(2,4-dinitrophenyl)amino]-Phenol, 2-((2,4-dinitrophenyl)amino)-NSC-404109Phenol, 2-[(2,4-dinitrophenyl)amino]-

データベース識別子

CAS
6358-23-2
PubChem CID
3100915
DTXSID
DTXSID9025160
ChEMBL
CHEMBL1897715
UNII
V9ZNR6BA7F
Nikkaji
J1.429.475I

物性

構造計算による物性補完中

XLogP
3.2
極性表面積
124 Ų
水素結合供与体数
2
水素結合受容体数
6
回転可能結合数
2
重原子数
20
形式電荷
0
複雑度
367

実験および物理化学的性質

Solubilityless than 1 mg/mL at 72 °F (NTP, 1992)
Melting Point374 to 401 °F (NTP, 1992)
Physical Description2-(2,4-dinitroanilino)phenol appears as orange crystals. (NTP, 1992)

物理化学的性質

安定性
安定。強力な酸化剤とは相容れない。
CAS データベース
6358 · 6358-23-2
EPAの化学物質情報
2 · 2-(2,4-Dinitroanilino)phenol (6358-23-2)

化学的性質

化学的特性orange crystalline powder

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。

危険有害性情報

DOT LabelFlammable Solid
Fire HazardsFlash point data are not available for this compound, but it is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Symptoms of exposure to this compound may include irritation of the skin, eyes and mucous membranes.
Reactive GroupAmines, Phosphines, and Pyridines
Reactivity Profile · 1 件

2-(2,4-DINITROANILINO)PHENOL is an organonitrate/phenol. Organonitrate compounds range from slight to strong oxidizing agents. If mixed with reducing agents, including hydrides, sulfides and nitrides, they may begin a vigorous reaction that culminates in a detonation. The aromatic nitro compounds may explode in the presence of a base such as sodium hydroxide or potassium hydroxide even in the presence of water or organic solvents. The explosive tendencies of aromatic nitro compounds are increased by the presence of multiple nitro groups. 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.

Air and Water ReactionsInsoluble in water.

安全と保護具

Fire FightingFires involving it may be controlled using dry chemical, carbon dioxide, and/or Halon extinguishers. (NTP, 1992)
First Aid · 1 件

化学と産業

応用分野

一般的な説明Orange crystals.

上流・下流製品情報

下流製品

C.I. Leuco Sulfur Brown 14

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化合物ノート

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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: You should dampen the solid spill material with acetone, then transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the adsorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone followed by washing with a strong soap and water solution. Do not reenter the contaminate area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Isolation and EvacuationExcerpt from ERG Guide 133 [Flammable Solids]:
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)