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3,4,6-トリクロロ-2-ニトロフェノール

3,4,6-Trichloro-2-nitrophenol

HCID 6718
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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
82-62-2
標準SMILES
O=[N+]([O-])c1c(O)c(Cl)cc(Cl)c1Cl
InChIKey
XWLBYVXDCGYXGY-UHFFFAOYSA-N
分子式
C6H2Cl3NO3
平均分子量
242.4 g/mol
単同位体質量
240.910026

概要

3,4,6-trichloro-2-nitrophenol appears as pale yellow crystals or powder. Formerly used as a pesticide.

名称と識別子

優先名称
3,4,6-Trichloro-2-nitrophenol
IUPAC
3,4,6-trichloro-2-nitrophenol
現地名
3,4,6-トリクロロ-2-ニトロフェノール
英語名
3,4,6-Trichloro-2-nitrophenol
分子式
C6H2Cl3NO3
分子量
242.44

名称と別名

3,4,6-TRICHLORO-2-NITROPHENOL82-62-26-Nitro-2,4,5-trichlorophenol2-Nitro-3,4,6-trichlorophenolPhenol, 2-nitro-3,4,6-trichloro-Phenol, 3,4,6-trichloro-2-nitro-MFCD01707216Dowlap71P46DZ42PCCRIS 6107BRN 1973806UNII-71P46DZ42P
名称をさらに表示
ダウラップ3,4,6-トリクロロ-2-ニトロフェノール2,4,5-トリクロロ-6-ニトロフェノール2-nitro-3,4,6-trichloro-pheno
SCHEMBL5064995DTXSID00262063,4,6-Trichlor-2-nitro-phenolXWLBYVXDCGYXGY-UHFFFAOYSA-N3,4,6-trichloro-2-nitro-phenolAAA08262GEO-02045AKOS005255116

データベース識別子

CAS
82-62-2
PubChem CID
6718
DTXSID
DTXSID0026206
UNII
71P46DZ42P
Nikkaji
J4.615I

物性

構造計算による物性

XLogP
4.5
極性表面積
66.1 Ų
水素結合供与体数
1
水素結合受容体数
3
回転可能結合数
0
重原子数
13
形式電荷
0
複雑度
210

実験および物理化学的性質

Solubilityless than 1 mg/mL at 66 °F (NTP, 1992)
Melting Point198 to 199 °F (NTP, 1992)
Physical Description3,4,6-trichloro-2-nitrophenol appears as pale yellow crystals or powder. Formerly used as a pesticide.

物理化学的性質

融点
92.5 °C · 92.5°C
沸点
272.9 · 272.9±35.0 °C(Predicted)
比重(密度)
1.8408 · 1.8408 (rough estimate)
屈折率
1.649 · 1.6490 (estimate)
酸解離定数(Pka)
1.92 · 1.92±0.44(Predicted)
EPAの化学物質情報
3 · 3,4,6-Trichloro-2-nitrophenol (82-62-2)

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。

危険有害性情報

Reactive GroupNitro, Nitroso, Nitrate, and Nitrite Compounds, Organic
Reactivity Profile · 1 件

3,4,6-TRICHLORO-2-NITROPHENOL reacts as a weak acid. 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

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 ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 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 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)

化学と産業

応用分野

用途有機合成原料。

一般的な説明Pale yellow crystals or powder. Formerly used as a pesticide.

調製方法

純化方法Crystallise the nitro-phenol from pet ether or EtOH. [Beilstein 6 III 842.]

サプライヤー7 社

梯希爱(上海)化工贸易有限公司021-61109150 · [email protected]
天津安浩生物科技有限公司[email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
上海齐奥化工科技有限公司021-58892003 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]

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安全データ

毒性
LD50 ivn-mus: 56 mg/kg CSLNX* NX#05670