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1-クロロ-2,4-ジニトロナフタレン

1-Chloro-2,4-dinitronaphthalene

HCID 16987
ノート反応
基本情報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
2401-85-6
標準SMILES
O=[N+]([O-])c1cc([N+](=O)[O-])c2ccccc2c1Cl
InChIKey
SKKUAUZTZZRYPW-UHFFFAOYSA-N
分子式
C10H5ClN2O4
平均分子量
252.61 g/mol
単同位体質量
251.9937843

名称と識別子

優先名称
1-Chloro-2,4-dinitronaphthalene
IUPAC
1-chloro-2,4-dinitronaphthalene
現地名
1-クロロ-2,4-ジニトロナフタレン
英語名
1-Chloro-2,4-dinitronaphthalene
分子式
C10H5ClN2O4
分子量
252.61

名称と別名

1-CHLORO-2,4-DINITRONAPHTHALENENaphthalene, 1-chloro-2,4-dinitro-Chlorodinitronaphthalene2,4-Dinitro-1-naphthyl chloride2,4-Dinitro-1-chloro-naphthaleneHSDB 5530UNII-8T00EW178RBRN 2219453AI3-525038T00EW178R1-Chloro-2,4-dinitrophthaleneDTXSID1062382
名称をさらに表示
1-クロロ-2,4-ジニトロナフタレンchlorodinitronaphthalenes
4-05-00-01681 (Beilstein Handbook Reference)2,4-DINITROCHLORONAPHTHALENE2,4-DINITRO-1-CHLORONAPHTHALENE2,4-DINITRO-1-CHLORO-NAPHTHALENE [HSDB]RefChem:753322,4Dinitro1chloronaphthalene2,4Dinitro1naphthyl chlorideNaphthalene, 1chloro2,4dinitro

データベース識別子

CAS
2401-85-6
PubChem CID
16987
DTXSID
DTXSID1062382
UNII
8T00EW178R
Nikkaji
J53.713F

物性

構造計算による物性

XLogP
3.5
極性表面積
91.6 Ų
水素結合供与体数
0
水素結合受容体数
4
回転可能結合数
0
重原子数
17
形式電荷
0
複雑度
327

実験および物理化学的性質

Color/FormYellow needles
DecompositionWhen heated to decomposition it emits very toxic fumes of /hydrogen chloride and nitrogen oxides/.
Melting Point146.5 °C
Physical DescriptionYellow solid; [HSDB]

物理化学的性質

融点
146.5 °C · 146.5°C
沸点
404.3 · 404.3±30.0 °C(Predicted)
比重(密度)
1.6226 · 1.6226 (rough estimate)
屈折率
1.6 · 1.6000 (estimate)
水溶解度
1 mg/L · 1mg/L(25℃)
EPAの化学物質情報
1 · Naphthalene, 1-chloro-2,4-dinitro- (2401-85-6)

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。

安全と保護具

Disposal Methods · 1 件

SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.

毒性情報

Non-Human Toxicity Excerpts · 2 件

/LABORATORY ANIMALS: Chronic Exposure or Carcinogenicity/ Carcinogenicity of 35 compounds was evaluated in young female rats 9 months after the oral administration of 10 equal doses at 3-day intervals at the maximally tolerated level. The following compounds caused breast cancer: 2-anthramine, benzidine, 7,12-dimethylbenz(a)anthracene... a weaker response was elicited by 1-chloro-2,4-dinitronaphthalene.

/LABORATORY ANIMALS: Chronic Exposure or Carcinogenicity/ Cancer of the breast was observed in rats administered a single oral maximum tolerated dose of 1-chloro-2,4-dinitronaphthalene. Carcinoma of the lung was seen in 1 rat fed dinitrochloronaphthalene.

Antidote and Emergency Treatment · 3 件

Basic treatment: Establish a patent airway. Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if necessary. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for shock and treat if necessary ... . Anticipate seizures and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with normal saline during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 ml/kg up to 200 ml of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool. Administer activated charcoal ... . /Naphthalene and Related Compounds/

Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious. Start an IV with lactated Ringer's. Adequate hydration must be maintained to prevent renal failure secondary to myoglobinuria unless signs of cerebral or pulmonary edema are present. For hypotension with signs of hypovolemia, administer fluid cautiously. Watch for signs of fluid overload ... . Administer 1% solution methylene blue if patient is symptomatic with severe hypoxia, cyanosis, and cardiac compromise not responding to oxygen. ... . Treat seizures with diazepam ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Naphthalene and related compounds/

化学と産業

用途と製造

General Manufacturing InformationNaphthalene, 1-chloro-2,4-dinitro-: INACTIVE

上流・下流製品情報

下流製品

1-(ジメチルアミノ)-2,4-ジニトロナフタレン

サプライヤー1 社

CHEMICAL LAND21[email protected]

関連反応

5 件
反応記録を作成
HRID 431729 の反応式
HRID 431729反応物としてuspto-grants-2003_12
HRID 726530 の反応式
HRID 726530反応物としてuspto-grants-1998_01
HRID 847734 の反応式
HRID 847734反応物としてuspto-grants-1981_10
HRID 2052343 の反応式
HRID 2052343反応物としてuspto-grants-1980_01
HRID 2131472 の反応式
HRID 2131472反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

化合物ノート

読み込み中…

このページの内容基本情報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

Maintain an open air way and assist ventilation if necessary. Treat coma and seizures if they occur. Treat hemolysis and resulting hemoglobinuria if they occur by intravenous hydration and urinary alkalinization. There is no specific antidote. Administer activated charcoal if available. Do not induce vomiting, because of the risk of lethargy and seizures. Do not administer milk, fats or oils, which may enhance absorption /Naphthalene/

安全データ

tsca
TSCA listed
有毒物質データの
2401-85-6(Hazardous Substances Data)