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2-アミノベンズイミダゾール

2-Aminobenzimidazole

HCID 13624
ノートを作成反応を作成見積依頼を出す
印刷プレビュー
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
934-32-7
標準SMILES
Nc1nc2ccccc2[nH]1
InChIKey
JWYUFVNJZUSCSM-UHFFFAOYSA-N
分子式
C7H7N3
平均分子量
133.15 g/mol
単同位体質量
133.06399724

概要

Plates (in water); white powder. (NTP, 1992)

名称と識別子

優先名称
2-Aminobenzimidazole
IUPAC
1H-benzimidazol-2-amine
現地名
2-アミノベンズイミダゾール
英語名
2-Aminobenzimidazole
分子式
C7H7N3
分子量
133.15

名称と別名

2-AMINOBENZIMIDAZOLE934-32-71H-Benzimidazol-2-amine2-IminobenzimidazolineUSAF EK-4037DTXSID1024465E65DE7521VNSC-7628NSC-27793DTXCID0044652-aminobenzimidazole monosulfateCHEBI:27822
名称をさらに表示
2-アミノベンズイミダゾール2-アミノ-1H-ベンゾイミダゾール1H-ベンゾイミダゾール-2(3H)-イミン1H-ベンゾイミダゾール-2-アミン2-アミノベンゾイミダゾール2‐アミノベンズイミダゾール2-アミノベンジミダゾール1H-ベンズイミダゾール-2-アミン2-アミノ-1H-ベンズイミダゾール2-アミノベンズイミダゾール標準品2-アミノベンゾイミダゾール, 97+%ベノミル代謝物1H-1,3-ベンゾジアゾール-2-アミンusafek-40372-AMinobenziMiBenziMidazoloniMide2-aMinobenziMidazde2-BENZIMIDAZOLAMINE2-amino-benzimidazol
2-aminobenzimidazole monohydrochlorideRefChem:465095213-280-61H-Benzo[d]imidazol-2-amineBenzimidazole, 2-amino-2-Amino-1H-benzimidazoleBenzimidazol-2-ylamine1H-1,3-benzodiazol-2-amine

データベース識別子

CAS
934-32-7
PubChem CID
13624
DTXSID
DTXSID1024465
ChEMBL
CHEMBL305513
ChEBI
CHEBI:27822
UNII
E65DE7521V
EC Number
213-280-6
Nikkaji
J3.655B

物性

構造計算による物性

XLogP
0.9
極性表面積
54.7 Ų
水素結合供与体数
2
水素結合受容体数
2
回転可能結合数
0
重原子数
10
形式電荷
0
複雑度
126

実験および物理化学的性質

SpringerMaterials PropertiesFusion temperature
Pesticides · 3 件

Environmental transformation -> Pesticide transformation products (metabolite, successor)

Pesticides -> Fungicides -> Benzimidazole fungicides -> Transformation products

Pesticide degradation product

LogP1.34
Solubility · 2 件

less than 1 mg/mL at 68 °F (NTP, 1992)

>20 [ug/mL] (The mean of the results at pH 7.4)

Melting Point435 °F (NTP, 1992)
Physical DescriptionPlates (in water); white powder. (NTP, 1992)
Ionization Efficiency · 6 件

Positive

3.61

2.7

Agilent XCT

Electrospray ionization

formic acid (5.3nM)

Collision Cross Section126.2 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID1024465]

物理化学的性質

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 · 4 件

Warning

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

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 111 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 3 件

Chemical: 1H-Benzimidazol-2-amine

Commission Regulation No 844/2012

1H-Benzimidazol-2-amine: Does not have an individual approval but may be used under an appropriate group standard

Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits toxic fumes of nitrogen oxides. (NTP, 1992)
Reactive GroupAmines, Phosphines, and Pyridines
Reactivity Profile · 1 件

2-AMINOBENZIMIDAZOLE neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. May generate hydrogen, a flammable gas, in combination with strong reducing agents such as hydrides.

Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesAcute Tox. 4 (100%)

化学と産業

用途と製造

Use Classification · 3 件

Pesticides -> Fungicides -> Benzimidazole fungicides -> Transformation products

Environmental transformation -> Pesticide transformation products (metabolite, successor)

Transformation products

General Manufacturing Information1H-Benzimidazol-2-amine: ACTIVE
応用分野 · 3 件

用途有機合成原料。

用途ベンズイミダゾール系殺菌剤の分析、研究用。

一般的な説明Plates (in water); white powder.

調製方法 · 1 件

製造方法Synthesis of 2-aminobenzimidazole: Cyanogen bromide (3.5 g., 0.034 mole) was added in small portions, with shaking, to a suspension of o-phenylenediamine (4.2 g. , 0.34 mole) in water (40 ml), the exothermic reaction mixture was cooled to room temperature and it was stirred for 36hrs. The solution was filtered after standing overnight. Sodium hydroxide (1.4 g., 0.034 mole) in 30 ml of water was then added and the solution was evaporated. The solid thus obtained was filtered and recrystalized from water. Yield 85%, m.p. 228 - 230°C

上流・下流製品情報

下流製品

オキシベンダゾール2-アミノ-1-メチルベンズイミダゾール2-ブロモ-1H-ベンズイミダゾール1H-Benzimidazol-2-amine, 1-(2-methoxyphenyl)-

関連反応

178 件
反応記録を作成
HRID 7183 の反応式
HRID 7183反応物としてuspto-grants-2006_08
HRID 16542 の反応式
HRID 16542生成物としてuspto-grants-2010_06
HRID 29147 の反応式
HRID 29147反応物としてuspto-grants-2008_09
HRID 59461 の反応式
HRID 59461反応物としてuspto-grants-2016_09
HRID 86326 の反応式
HRID 86326反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 90520 の反応式
HRID 90520反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 102642 の反応式
HRID 102642生成物として反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 104312 の反応式
HRID 104312反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
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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
その他の操作
ノートを作成反応を作成見積依頼を出す
融点
226 · 226-230 °C (lit.)
沸点
235.67 °C · 235.67°C (rough estimate)
比重(密度)
1.1873 · 1.1873 (rough estimate)
屈折率
1.5341 · 1.5341 (estimate)
貯蔵温度
Keep in dark place,Sealed in dry,Room Temperature
溶解性
1 g/l · <1g/l わずかに溶ける
外見
結晶性粉末、結晶またはフレーク
酸解離定数(Pka)
11.41 · 11.41±0.10(Predicted)
色
黄色からベージュまたはライトブラウン
水溶解度
水に溶ける（わずかに）。
BRN
116525 · 116525
主な用途
農業環境
InChI
1S/C7H7N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H3,8,9,10)
InChIKey
JWYUFVNJZUSCSM-UHFFFAOYSA-N
SMILES
Nc1nc2ccccc2[nH]1
CAS データベース
934 · 934-32-7(CAS DataBase Reference)
NISTの化学物質情報
2 · 2-Aminobenzimidazole(934-32-7)
EPAの化学物質情報
2 · 2-Aminobenzimidazole (934-32-7)
化学的性質 · 1 件

化学的特性Light yellow to cream or beige powder or flakes. N,N'-o-Phenyleneguanidine [934-32-7], 2-aminobenzimidazole, C7H7N3, Mr 133.15, mp 231 – 232 ℃(decomp.), obtained by cyclization of o-phenylenediamine with cyanogen chloride or cyanamide, is the nucleus for a number of compounds of economic interest.

安全と保護具

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
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 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% 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 60-70% 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)

毒性情報

USGS Health-Based Screening Levels for Evaluating Water-Quality · 3 件

2-Aminobenzimidazole

Pesticide degradation product

Smith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP

安全データ

wgk
3
tsca
TSCA listed
rtecs
DD5775000
hs_code
29339990
risk_code
22-36/37/38-43
化審法
(5)-462
hazard_code
Xn
safety_code
26-36/37/39-22
Hazard Classifications
Acute Tox. 4 Oral
ストレージクラス
11 - Combustible Solids
Pyrimido[1,2-a]benzimidazole, 2,4-dimethyl- (6CI,7CI,8CI,9CI)
1H-Benzimidazole,2,2'-azobis- (9CI)
1-ブチル-1H-ベンズイミダゾール-2-アミン
1H-Benzimidazol-2-amine, 1-[(4-methylphenyl)methyl]-
1H-Benzimidazol-2-amine,1-(1-methylethyl)-(9CI)
1H-Benzimidazol-2-amine, 1-(4-methoxyphenyl)-

補足説明

定義ChEBI: 2-aminobenzimidazole is a member of the class of benzimidazoles that is benzimidazole in which the hydrogen at position 2 is replaced by an amino group. It has a role as a marine xenobiotic metabolite.