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2-メチル-3,5-ジニトロベンズアミド

Dinitolmide

HCID 3092
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
148-01-6
標準SMILES
Cc1c(C(N)=O)cc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIKey
ZEFNOZRLAWVAQF-UHFFFAOYSA-N
分子式
C8H7N3O5
平均分子量
225.16 g/mol
単同位体質量
225.03857033

概要

Yellowish, crystalline solid. Mp: 177 °C. Very slightly soluble in water. Soluble in acetone, acetonitrile, and dimethylformamide. Used as an anti-parasite drug for poultry. Store in a cool, ventilated place, away from acute fire hazards and easily oxidized materials.

名称と識別子

優先名称
Dinitolmide
IUPAC
2-methyl-3,5-dinitrobenzamide
現地名
2-メチル-3,5-ジニトロベンズアミド
英語名
Dinitolmide
分子式
C8H7N3O5
分子量
225.16

名称と別名

dinitolmide2-Methyl-3,5-dinitrobenzamide148-01-6ZoaleneZoamix3,5-Dinitro-o-toluamideCoccidine ACoccidotDinitolmidaBenzamide, 2-methyl-3,5-dinitro-DinitolmidumDinitrotoluamide
名称をさらに表示
3,5-ジニトロ-o-トルアミドジニトルミドゾアレンサルコスタットコッシドットゾアミックス2-メチル-3,5-ジニトロベンズアミドコッシジンA3,5-ジニトロ-O-トルアミド標準品3,5ジニトロoトルアミド2‐メチル‐3,5‐ジニトロベンズアミド(別名 ジニトルミド)3,5‐ジニトロ‐O‐トルアミド標準品ジニトルミド標準品ジニトロアミド2- メチル-3,5-ジニトロベンズアミド【ジニトルミド】d.o.t.ZoalereNITROMIDCoccidinSalcostat
MethyldinitrobenzamideZoaleleo-Toluamide, 3,5-dinitro-DTXSID6042521AOX68RY4TVNSC-7582133,5-Dinitro-2-methylbenzamideDTXCID4022521

データベース識別子

CAS

物性

構造計算による物性

XLogP
0.7
極性表面積
135 Ų
水素結合供与体数
1
水素結合受容体数
5
回転可能結合数
1
重原子数
16
形式電荷
0
複雑度
321

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)
Color/Form · 3 件

Crystals from dilute alcohol

Yellowish, crystalline solid

Yellowish solid or needles from aqueous ethanol

Solubility · 6 件

Slight (NIOSH, 2024)

Very slightly soluble in water; soluble in acetone, acetonitrile, and dimethyl formamide

Soluble in dioxane

1 mg/mL

Solubility in water: poor

Slight

Animal DrugsFDA approved animal drugs -> Active ingredient
Melting Point · 5 件

351 °F (NIOSH, 2024)

181 °C

181 °C

181 °C

351 °F

Vapor Pressure · 2 件

0.00000007 [mmHg]

6.78X10-8 mm Hg at 25 °C /Estimated/

Henry's Law ConstantHenry's Law constant = 3.8X10-14 atm-cu m/mole @ 25 °C /Estimated/
Physical Description · 5 件

Yellowish, crystalline solid. Mp: 177 °C. Very slightly soluble in water. Soluble in acetone, acetonitrile, and dimethylformamide. Used as an anti-parasite drug for poultry. Store in a cool, ventilated place, away from acute fire hazards and easily oxidized materials.

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 · 6 件

This chemical does not meet GHS hazard criteria for 2.3% (1 of 44) of reports.

Warning

H302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 2 notifications to the ECHA C&L Inventory.

Warning

危険有害性情報

Regulatory InformationDinitro-o-toluamide: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Benzamide, 2-methyl-3,5-dinitro-: Environment tier I assessment
Fire HazardsNot combustible.
Health HazardsExcerpt from NIOSH Pocket Guide for Dinitolmide:
Hazards SummaryIn animals: methemoglobinemia, liver changes; [NIOSH] May cause skin irritation and possibly liver effects; [ACGIH]
FDA Requirements · 1 件

Tolerances are established for residues of zoalene (3,5-dinitro-o- toluamide) and its metabolite 3-amino-5-nitro-o-toluamide in food as follows: (a) In edible tissues of chickens: (1) 6 parts per million in uncooked liver and kidney; (2) 3 parts per million in uncooked muscle tissue; (3) 2 parts per million in uncooked fat. (b) In edible tissues of turkeys: 3 parts per million in uncooked muscle tissue and liver.

Reactive GroupAmides and Imides
Reactivity ProfileDINITOLMIDE reacts as an oxidizing agent. Has been known on at least one occasion to explode destructively. Incompatible with easily oxidized materials. Emits toxic NOx fumes if heated to decomposition.

化学と産業

薬理情報

ATC CodeQP - Antiparasitic products, insecticides and repellents
MeSH Pharmacological ClassificationAgents useful in the treatment or prevention of COCCIDIOSIS in man or animals.
Cellular LocationsCytoplasm

用途と製造

Uses · 3 件

Used as a veterinary coccidiostat and food additive; [ACGIH] Coccidiostats are any of a group of chemical agents, e.g., nitrofurazone, nitrophenide, nicarbazin, mixed in feed or drinking water to control coccidiosis in animals. [Dorland's Illustrated Medical Dictionary]

For 3,5-dinitro-o-toluamide (USEPA/OPP Pesticide Code: 037510) there are 0 labels match. /SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./

Medication: (Vet): Coccidiostat

Formulations/PreparationsZoalene
General Manufacturing InformationHarris et al, US 2937204 (1960 to Dow)
応用分野 · 3 件

用途動物薬?合成抗菌剤

使用Dinitolmide may be used as an analytical reference standard for the quantification of the analyte in animal tissues poultry, livestock, and aquatic tissues using chromatography techniques.

一般的な説明Yellowish, crystalline solid. Mp: 177°C. Very slightly soluble in water. Soluble in acetone, acetonitrile, and dimethylformamide. Used as an anti-parasite drug for poultry. Store in a cool, ventilated place, away from acute fire hazards and easily oxidized materials.

上流・下流製品情報

関連反応

0 件
反応記録を作成

現在のフィルター条件では反応記録がありません。

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
148-01-6
PubChem CID
3092
DTXSID
DTXSID6042521
ChEMBL
CHEMBL472565
ChEBI
CHEBI:174162
UNII
AOX68RY4TV
EC Number
205-706-4
Nikkaji
J2.959I

Yellowish, crystalline solid; [NIOSH]

Solid

YELLOW CRYSTALLINE POWDER.

Yellowish, crystalline solid.

Collision Cross Section143.7 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Other Experimental PropertiesHydroxyl radical reaction rate constant = 2.1X10-12 cu cm/molecule-sec @ 25 °C /Estimated/

物理化学的性質

融点
170 · 170-180 °C (lit.)
沸点
366.66 °C · 366.66°C (rough estimate)
比重(密度)
1.5406 · 1.5406 (rough estimate)
屈折率
1.74 · 1.7400 (estimate)
闪点
2 °C · 2 °C
貯蔵温度
2 · 2-8°C
溶解性
クロロホルム(微量)、DMSO(微量)、メタノール(微量)
外見
個体
酸解離定数(Pka)
13.74 · 13.74±0.50(Predicted)
色
ペールベージュからライトベージュ
Merck
13 · 13,3297
InChI
InChI=1S/C8H7N3O5/c1-4-6(8(9)12)2-5(10(13)14)3-7(4)11(15)16/h2-3H,1H3,(H2,9,12)
InChIKey
ZEFNOZRLAWVAQF-UHFFFAOYSA-N
SMILES
C(N)(=O)C1=CC([N+]([O-])=O)=CC([N+]([O-])=O)=C1C
CAS データベース
148 · 148-01-6(CAS DataBase Reference)
EPAの化学物質情報
Zoalene (148-01-6)

化学的性質

化学的特性Yellowish solid. Very slightly soluble in water; soluble in acetone, acetonitrile, dioxane, and dimethylformamide.

Flammable LimitsNoncombustible Solid
Air and Water ReactionsNo rapid reaction with air. No rapid reaction with water.
NIOSH RecommendationsRecommended Exposure Limit: 10 Hr Time-Weighted Avg: 5 mg/cu m
Hazard Classes and Categories · 2 件

Acute Tox. 4 (97.7%)

Acute toxicity (Oral) - Category 4

安全と保護具

Fire FightingIn case of fire in the surroundings, use appropriate extinguishing media.
First Aid Measures · 4 件

Fresh air, rest.

Rinse and then wash skin with water and soap.

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Rinse mouth.

First Aid · 2 件

Excerpt from NIOSH Pocket Guide for Dinitolmide:

(General first aid procedures)

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.

Spillage DisposalPersonal protection: particulate filter respirator adapted to the airborne concentration of the substance. Sweep spilled substance into covered containers. If appropriate, moisten first to prevent dusting.
Preventive Measures · 5 件

SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.

SRP: Contaminated protective clothing should be segregated in such a manner so that there is no direct personal contact by personnel who handle, dispose, or clean the clothing. Quality assurance to ascertain the completeness of the cleaning procedures should be implemented before the decontaminated protective clothing is returned for reuse by the workers. Contaminated clothing should not be taken home at end of shift, but should remain at employee's place of work for cleaning.

The worker should immediately wash the skin when it becomes contaminated.

Work clothing that becomes wet or significantly contaminated should be removed and replaced.

Workers whose clothing may have become contaminated should change into uncontaminated clothing before leaving the work premises.

Eye PreventionWear safety goggles.
Inhalation RiskA nuisance-causing concentration of airborne particles can be reached quickly when dispersed.
Skin PreventionProtective gloves.
Ingestion PreventionDo not eat, drink, or smoke during work.
Inhalation PreventionUse local exhaust or breathing protection.
Respirator RecommendationsImportant additional information about respirator selection

毒性情報

Target OrgansSkin, liver, blood
Ecotoxicity Values · 2 件

EC50 Daphnia magna (Water flea; intoxication, immobilization) 155 mg/L/48 hr (95% confidence interval: 146-164 mg/L); static

LC50 Daphnia magna (Water flea) 165 mg/L/48 hr (95% confidence interval: 157-173 mg/L); static

Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
Exposure Routes · 2 件

The substance can be absorbed into the body by ingestion.

inhalation, ingestion, skin and/or eye contact

Signs and SymptomsContact eczema; In Animals: methemoglobinemia, liver changes
ICSC Environmental DataEnvironmental effects from the substance have not been investigated adequately.
Human Toxicity Excerpts/SIGNS AND SYMPTOMS/ Potential symptom of overexposure by direct contact is eczema.
Evidence for CarcinogenicityA4; Not classifiable as a human carcinogen.
Antidote and Emergency Treatment · 2 件

Basic treatment: Establish a patent airway. Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if needed. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . 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 ... . Cover skin burns with dry sterile dressings after decontamination ... . /Poison A and B/

Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious, has severe pulmonary edema, or is in respiratory arrest. Positive pressure ventilation techniques with a bag valve mask device may be beneficial. Monitor cardiac rhythm and treat arrhythmias as necessary ... . Start an IV with D5W /SRP: "To keep open", minimal flow rate/. Use lactated Ringer's if signs of hypovolemia are present. Watch for signs of fluid overload. Consider drug therapy for pulmonary edema ... . For hypotension with signs of hypovolemia, administer fluid cautiously. Watch for signs of fluid overload ... . Treat seizures with diazepam (Valium) ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Poison A and B/

Non-Human Toxicity Values · 2 件

LD50 Rat oral 600 mg/kg

LD50 Dog iv 75 mg/kg

法規制情報

FDA Requirements · 1 件

Tolerances are established for residues of zoalene (3,5-dinitro-o- toluamide) and its metabolite 3-amino-5-nitro-o-toluamide in food as follows: (a) In edible tissues of chickens: (1) 6 parts per million in uncooked liver and kidney; (2) 3 parts per million in uncooked muscle tissue; (3) 2 parts per million in uncooked fat. (b) In edible tissues of turkeys: 3 parts per million in uncooked muscle tissue and liver.

安全データ

OEB
B
OEL
TWA: 5 mg/m3
wgk
2
rtecs
XS4200000
hs_code
29242990
risk_code
22
安衛法
57,57-2
hazard_code
Xn
safety_code
36
Hazard Classifications
Acute Tox. 4 Oral
ストレージクラス
11 - Combustible Solids
有毒物質データの
148-01-6(Hazardous Substances Data)

上流原料

アンモニア水2-メチル-3,5-ジニトロ安息香酸硝酸塩化スルフィニル硫酸水素2-メチル-3,5-ジニトロベンゾイルクロリド

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