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酢酸2-sec-ブチル-4,6-ジニトロフェニル

Dinoseb acetate

HCID 17776
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
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基本情報

CAS
2813-95-8
標準SMILES
CCC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OC(C)=O
InChIKey
RDJTWDKSYLLHRW-UHFFFAOYSA-N
分子式
C12H14N2O6
平均分子量
282.25 g/mol
単同位体質量
282.08518617

概要

Dinoseb acetate is a member of phenols and a benzoate ester.

名称と識別子

優先名称
Dinoseb acetate
IUPAC
(2-butan-2-yl-4,6-dinitrophenyl) acetate
現地名
酢酸2-sec-ブチル-4,6-ジニトロフェニル
英語名
Dinoseb acetate
分子式
C12H14N2O6
分子量
282.25

名称と別名

DINOSEB ACETATEAretit2813-95-8Ivosit2-sec-Butyl-4,6-dinitrophenyl acetate2-(butan-2-yl)-4,6-dinitrophenyl acetateHOE-29044K44988W0HDTXSID3074816RefChem:134483DTXCID7037769220-560-1
名称をさらに表示
フェノタン【農薬】ジノセブアセタートイボシット酢酸2-sec-ブチル-4,6-ジニトロフェニルアレチット酢酸ジノセブ2, 4-ジニトロ-6-(1-メチルプロピル)-フェニルアセテートジノセブアセテート2-(ブタン-2-イル)-4,6-ジニトロフェニル アセタート2,4-ｼﾞﾆﾄﾛ-6-(1-ﾒﾁﾙﾌﾟﾛﾋﾟﾙ)-ﾌｪﾆﾙｱｾﾃｰﾄhoe2904Phenotandnbpa (jmaf)dinosebeacetateIrsogladine Impurity 12C12811000 Dinoseb acetateDINITROALKYLPHENYL ACETATE
Dinoseb-acetateDinosebe acetateDinoseb acetate [BSI:ISO]4,6-Dinitro-2-s-butylphenyl acetate2-sec-Butyl-4,6-dinitrophenylacetate6-sec-Butyl-2,4-dinitrophenylacetateO-Acetyl-2-sec-butyl-4,6-dinitrophenolHOE 2904

データベース識別子

物性

構造計算による物性

XLogP
3.1
極性表面積
118 Ų
水素結合供与体数
0
水素結合受容体数
6
回転可能結合数
4
重原子数
20
形式電荷
0
複雑度
388

実験および物理化学的性質

Solubility · 2 件

2.2 mg/mL at 25 °C

Solubility in water, g/100ml at 20 °C: 0.22

Flash Point>100 °C
Boiling Pointat 0.53kPa: 170 °C
Melting Point · 2 件

26 - 27 °C

26-27 °C

Vapor DensityRelative vapor density (air = 1): 9.7
Vapor PressureVapor pressure, Pa at 20 °C: 0.08
Physical Description · 2 件

Solid

YELLOW CRYSTALS. BROWN VISCOUS OILY LIQUID WITH CHARACTERISTIC ODOUR.

物理化学的性質

融点
26 · 26-27°
沸点
424.86 °C · 424.86°C (rough estimate)
比重(密度)
1.3254 · 1.3254 (rough estimate)
屈折率
1.666 · 1.6660 (estimate)
闪点
100 °C · 100 °C
貯蔵温度

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

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P203, P262, P264, P264+P265, P270, P273, P280, P301+P316, P302+P352, P305+P351+P338, P316, P318, P321, P330, P337+P317, P361+P364, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H301: Toxic if swallowed [Danger Acute toxicity, oral]

危険有害性情報

Fire HazardsCombustible. Liquid formulations containing organic solvents may be flammable. Gives off irritating or toxic fumes (or gases) in a fire. Risk of fire and explosion on confinement and exposure to high temperatures.
EC ClassificationSymbol: T, N; R: 61-62-24/25-36-44-50/53; S: 53-45-60-61; Note: A, E
UN ClassificationUN Hazard Class: 6.1; UN Pack Group: II
Chemical DangersDecomposes on heating and on burning. This produces toxic fumes including nitrogen oxides. The solution in water is a weak acid. Hydrolyzed by acids and alkalis to dinoseb (ICSC 0149). Attacks many metals in the presence of water.
Packaging and LabellingDo not transport with food and feedstuffs. Marine pollutant.
DOT Hazard Classification · 2 件

Dinoseb acetate

Marine pollutant

Hazard Classes and Categories · 2 件

Acute Tox. 3 (100%)

Acute toxicity (Oral) - Category 3

化学と産業

薬理情報

Cellular LocationsMembrane

応用分野

使用Dinoseb Acetate is a pesticide metabolite in food. A herbicide.

サプライヤー16 社

梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
南京生利德生物科技有限公司025-57798810 18652991625 · [email protected]
天津阿尔塔科技有限公司022-65378550-8551 · [email protected]
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
南京罗迈美生物科技有限公司[email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]

関連反応

0 件
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化合物ノート

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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
2813-95-8
PubChem CID
17776
DTXSID
DTXSID3074816
ChEMBL
CHEMBL1591909
ChEBI
CHEBI:82240
UNII
4K44988W0H
EC Number
220-560-1
Nikkaji
J4.416D
2 · 2-8°C
水溶解度
2.2 g/L · 2.2g/L(室温)
BRN
2337708 · 2337708
Henry's Law Constant
1.5 · 1.5×103 mol/(m3Pa) at 25℃, Ebert et al. (2023)
EPAの化学物質情報
Dinoseb acetate (2813-95-8)

安全と保護具

Fire FightingUse water spray, foam, powder, carbon dioxide. Combat fire from a sheltered position.
First Aid Measures · 4 件

Fresh air, rest. Artificial respiration may be needed. Refer immediately for medical attention.

Remove contaminated clothes. Rinse and then wash skin with water and soap. Refer immediately for medical attention.

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

Rinse mouth. Rest. Give a slurry of activated charcoal in water to drink. Refer immediately for medical attention.

Safe StorageProvision to contain effluent from fire extinguishing. Separated from strong bases and food and feedstuffs. Cool. Keep in a well-ventilated room. Well closed. Store in an area without drain or sewer access.
Spillage Disposal · 1 件

Personal protection: filter respirator for organic gases and particulates adapted to the airborne concentration of the substance. Do NOT let this chemical enter the environment. Sweep spilled substance into covered sealable containers. If appropriate, moisten first to prevent dusting. Carefully collect remainder. Then store and dispose of according to local regulations.

Eye PreventionWear face shield or eye protection in combination with breathing protection.
Fire PreventionNO open flames.
Inhalation RiskA harmful contamination of the air will not or will only very slowly be reached on evaporation of this substance at 20 °C; on spraying or dispersing, however, much faster.
Skin PreventionProtective gloves. Protective clothing.
Exposure PreventionAVOID ALL CONTACT! AVOID EXPOSURE OF ADOLESCENTS AND CHILDREN! IN ALL CASES CONSULT A DOCTOR!
Ingestion PreventionDo not eat, drink, or smoke during work. Wash hands before eating.
Inhalation PreventionUse ventilation (not if powder), local exhaust or breathing protection.
Effects of Long Term ExposureThe substance may have effects on the hematopoetic system. May cause reproductive toxicity in humans.

毒性情報

Exposure RoutesThe substance can be absorbed into the body by inhalation, through the skin and by ingestion.
Signs and Symptoms · 4 件

Sweating. Headache. Laboured breathing. Nausea. Vomiting. Fever. Convulsions. Unconsciousness. Cyanosis

EASILY ABSORBED! Redness. Further see Inhalation.

Redness. Pain.

Abdominal pain. Further see Inhalation.

ICSC Environmental Data · 1 件

The substance is very toxic to aquatic organisms. This substance may be hazardous to the environment. Special attention should be given to birds, bees and mammals. This substance does enter the environment under normal use. Great care, however, should be taken to avoid any additional release, for example through inappropriate disposal.

安全データ

wgk
3
rtecs
AF7140000
ridadr
3013
毒性
chicken,LD50,oral,40mg/kg (40mg/kg),Guide to the Chemicals Used in Crop Protection. Vol. 6, Pg. 229, 1973.
hs_code
29153600
risk_code
61-24/25-36-44-50/53-62
hazard_code
T,N
safety_code
53-45-60-61
hazard_class
6.1(a)
packing_group
II
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
南京枫景晴生物科技有限公司15062262630 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
亚索试剂400-873-6778 18660992876 · [email protected]