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2-(2-フラニル)-1H-ベンゾイミダゾール

Fuberidazole

HCID 19756
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
3878-19-1
標準SMILES
c1coc(-c2nc3ccccc3[nH]2)c1
InChIKey
UYJUZNLFJAWNEZ-UHFFFAOYSA-N
分子式
C11H8N2O
平均分子量
184.19 g/mol
単同位体質量
184.06366288

概要

Fuberidazole is a crystalline powder. Used in cereal seed dressing and fungicidal non-mercurial seed dressing with special action against fusarium. Not registered as a pesticide in the U.S. (EPA, 1998)

名称と識別子

優先名称
Fuberidazole
IUPAC
2-(furan-2-yl)-1H-benzimidazole
現地名
2-(2-フラニル)-1H-ベンゾイミダゾール
英語名
FUBERIDAZOLE
分子式
C11H8N2O
分子量
184.19

名称と別名

FUBERIDAZOLE3878-19-1FuberidatolFubridazoleFuridazolVoronit1H-Benzimidazole, 2-(2-furanyl)-FuberidazolFuridazole2-(2-Furyl)benzimidazoleFuberisazolVoronite
名称をさらに表示
フベリダゾール2-[フラン-2-イル]-1H-ベンゾイミダゾール2-(2-フリル)-1H-ベンゾイミダゾールボロニット2-(2-フラニル)-1H-ベンゾイミダゾール2-(フラン-2-イル)-1H-ベンゾイミダゾールフベリダゾール標準品CS_N-12021-100MG_フベリダゾール2-(フラン-2-イル)-1H-1,3-ベンゾジアゾール3-(2-フラニル)-1H-インダゾール3-(2-フリル)-1H-インダゾール3-(フラン-2-イル)-1H-インダゾール2-(furan-2-yl)-1H-benzo[d]iMidazolePF 7402bay33172wvii/117NSC 72670
2-(2-Furyl)-1H-benzimidazoleBayer 331722-(2-Furanyl)-1H-benzimidazoleBenzimidazole, 2-(2-furyl)-BAY 33172W VII/117B-33172DTXSID4041995

データベース識別子

CAS

物性

構造計算による物性

XLogP
2.2
極性表面積
41.8 Ų
水素結合供与体数
1
水素結合受容体数
2
回転可能結合数
1
重原子数
14
形式電荷
0
複雑度
209

実験および物理化学的性質

Pesticides · 3 件

Fungicides

Active substance -> EU Pesticides database: Not approved

Environmental transformation -> Pesticides (parent, predecessor)

LogP2.67
Human DrugsPharmaceuticals
Melting Point · 2 件

536 to 550 °F decomposes (EPA, 1998)

286 °C

Vapor Pressure0.00001 [mm Hg] @25 °C
Physical DescriptionFuberidazole is a crystalline powder. Used in cereal seed dressing and fungicidal non-mercurial seed dressing with special action against fusarium. Not registered as a pesticide in the U.S. (EPA, 1998)
Collision Cross Section138.0 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID4041995]

物理化学的性質

融点
310 · 310-312℃
沸点
318.14 °C · 318.14°C (rough estimate)
比重(密度)
1.182 · 1.1820 (rough estimate)

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

Warning

H302: Harmful if swallowed [Warning Acute toxicity, oral]

P203, P260, P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P318, P319, P321, P330, P333+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P260, P261, P262, P264, P270, P271, P272, P273, P280, P284, P301+P317, P302+P352, P304+P340, P316, P318, P319, P320, P321, P330, P333+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

危険有害性情報

Regulatory Information · 4 件

Commission Regulation (EC) No 1490/2002

2008/108, Reg. (EU) 2022/801, Reg. (EU) No 540/2011

Fuberidazole: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

DOT LabelPoison
Fire HazardsWhen heated to decomposition, it emits toxic fumes of nitrogen oxides. (EPA, 1998)
Health HazardsIt is classified as moderately toxic. Its probable oral lethal dose in humans is 0.5-5 g/kg or between 1 ounce and 1 pint for a150 lb. person. (EPA, 1998)
Reactive GroupAmines, Phosphines, and Pyridines
Reactivity Profile · 1 件

FUBERIDAZOLE is a benzimidazole and behaves as an amine. Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides

化学と産業

用途と製造

Use Classification · 2 件

Pharmaceuticals

Environmental transformation -> Pesticides (parent, predecessor)

応用分野

使用Fuberidazole is a benzimidazole based fungicide used as a fungicidal seed treatment of barley.

一般的な説明Crystalline powder. Used in cereal seed dressing and fungicidal non-mercurial seed dressing with special action against fusarium. Not registered as a pesticide in the U.S.

上流・下流製品情報

上流原料

Glass-lined reaction pot亜硫酸水素ナトリウムSodiumhydroxymethylenesulfonate1,2-フェニレンジアミン1H-Benzimidazole, 2-(2-furanyl)-1-(2-furanylmethyl)-Benzenamine, N-(2-furanylmethylene)-alpha-Furfuryliden-alpha-furylmethylamine2-(Bromomethyl)furan2-フランカルボアルデヒドオキシム1,2-ジニトロベンゼン

関連反応

1 件
反応記録を作成
HRID 869516 の反応式
HRID 869516反応物としてuspto-grants-2015_03

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
3878-19-1
PubChem CID
19756
DTXSID
DTXSID4041995
ChEMBL
CHEMBL201094
ChEBI
CHEBI:81926
UNII
RXD450F6C7
EC Number
223-404-0
Nikkaji
J2.201B
蒸気圧
-3 Pa · -3Pa (20 °C)
屈折率
1.53 · 1.5300 (estimate)
貯蔵温度
0 · 0-6°C
溶解性
DMSO(微量)、メタノール(微量)
酸解離定数(Pka)
4.6 · 4.6 (base)
水溶解度
200 mg・l-1 · 200mg・l-1 (pH4) 71mg・l-1 (pH7)、20℃
外見
Solid
色
オフホワイトからペールベージュ
BRN
153833 · 153833
Henry's Law Constant
1.9 · 1.9×105 mol/(m3Pa) at 25℃, Ebert et al. (2023)
主な用途
農業環境
InChI
1S/C11H8N2O/c1-2-5-9-8(4-1)12-11(13-9)10-6-3-7-14-10/h1-7H,(H,12,13)
InChIKey
UYJUZNLFJAWNEZ-UHFFFAOYSA-N
SMILES
c1ccc2[nH]c(nc2c1)-c3ccco3
LogP
2.67 · 2.670
CAS データベース
3878 · 3878-19-1(CAS DataBase Reference)
EPAの化学物質情報
Fuberidazole (3878-19-1)

化学的性質

化学的特性Fuberidazole is a crystalline powder.

Air and Water ReactionsNo rapid reaction with air. No rapid reaction with water.
Hazard Classes and Categories · 3 件

Acute Tox. 4 (100%)

Carcinogenicity - category 2

Carc. 2

安全と保護具

Fire Fighting · 1 件

This compound is a fungicide. Move container from fire area if you can do so without risk. Fight fire from maximum distance. Dike fire control water for later disposal; do not scatter the material. Keep unnecessary people away; isolate hazard area and deny entry. Stay upwind; keep out of low areas. Ventilate closed spaces before entering them. Wear positive pressure breathing apparatus and special protective clothing. Remove and isolate contaminated clothing at the site.

First AidNote: No information on specific clinical effects of exposure was available.
Nonfire Spill ResponseThis compound is a fungicide. Do not touch spilled material; stop leak if you can do so without risk. Use water spray to reduce vapors.
Isolation and EvacuationExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Protective Action Criteria (PAC) · 3 件

0.30 [mg/m3]

3.3 [mg/m3]

15 [mg/m3]

Personal Protective Equipment (PPE) · 1 件

For emergency situations, wear a positive pressure, pressure-demand, full facepiece self-contained breathing apparatus (SCBA) or pressure- demand supplied air respirator with escape SCBA and a fully-encapsulating, chemical resistant suit. (EPA, 1998)

安全データ

wgk
3
rtecs
DD9010000
ridadr
2588
hs_code
29339900
risk_code
22-50/53-23-21-48/22-43-40-21/22
hazard_code
Xn,N,T
safety_code
22-60-61-45-36/37
hazard_class
6.1(b)
packing_group
III
Hazard Classifications
Acute Tox. 2 InhalationAcute Tox. 3 DermalAcute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Carc. 2 InhalationSkin Sens. 1STOT RE 2
ストレージクラス
6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
フルフリルアルコール
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2-ニトロアニリン
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補足説明

定義ChEBI: A ring assembly consisting of benzimidazole substituted at position 2 by a 2-furyl group. A fungicide used as a seed treatment to control Fusarium spp. in cereals.