2-Aminobenzimidazole (HCID 13624)

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-27793DTXCID004465CHEBI:27822RefChem:465095

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 monosulfate2-aminobenzimidazole monohydrochloride213-280-61H-Benzo[d]imidazol-2-amineBenzimidazole, 2-amino-2-Amino-1H-benzimidazole1H-1,3-benzodiazol-2-amineBenzimidazol-2-ylamine

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 Å²
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

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

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

Pesticide degradation product

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)

物理化学的性質

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.

安全と法規制

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.

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

化学と産業

用途と製造

Use Classification · 3 件

Transformation products

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

Pesticides -> Fungicides -> Benzimidazole fungicides -> 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)-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)-

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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.