2-Aminobenzimidazole (HCID 13624)

개요

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

이름 및 식별자

우선 이름: 2-Aminobenzimidazole
IUPAC: 1H-benzimidazol-2-amine
현지명: 2-아미노벤즈이미다졸
영어명: 2-Aminobenzimidazole
분자식: C7H7N3
분자량: 133.15

이름 및 동의어

2-AMINOBENZIMIDAZOLE934-32-71H-Benzimidazol-2-amine2-IminobenzimidazolineUSAF EK-4037DTXSID1024465E65DE7521VNSC-7628NSC-27793DTXCID004465CHEBI:27822RefChem:465095

이름 더 보기

2-아미노벤즈이미다졸usafek-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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 54.7 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 126

실험 및 물리화학적 성질

SpringerMaterials PropertiesFusion temperature

Pesticides · 3건

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

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

Pesticide degradation product

Solubility · 2건

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 · 6건

Positive

3.61

2.7

Agilent XCT

Electrospray ionization

formic acid (5.3nM)

물리화학적 성질

녹는점: 226 · 226-230 °C (lit.)
끓는 점: 235.67 °C · 235.67°C (rough estimate)
밀도: 1.1873 · 1.1873 (rough estimate)
굴절률: 1.5341 · 1.5341 (estimate)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 1 g/l · <1g/l 약간 용해됨
물리적 상태: 결정질 분말, 결정 또는 플레이크
산도 계수 (pKa): 11.41 · 11.41±0.10(Predicted)
색상: 노란색에서 베이지색 또는 연한 갈색
수용성: 물에 용해됨(약간 용해됨).
BRN: 116525 · 116525
주요 응용: 농업환경
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
NIST: 2 · 2-Aminobenzimidazole(934-32-7)
EPA: 2 · 2-Aminobenzimidazole (934-32-7)

화학적 성질 · 1건

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.

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Regulatory Information · 3건

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 · 1건

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.

안전 및 보호

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)

First Aid · 1건

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 · 1건

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) · 1건

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)

독성 정보

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

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

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: DD5775000
HS 번호: 29339990
risk_code: 22-36/37/38-43
hazard_code: Xn
safety_code: 26-36/37/39-22
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

Use Classification · 3건

Transformation products

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

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

General Manufacturing Information1H-Benzimidazol-2-amine: ACTIVE

응용 분야

일반 설명Plates (in water); white powder.

제조 방법 · 1건

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

상·하류 제품 정보

하류 제품

Oxibendazole 2-아미노-1-메틸벤즈이미다졸 2-브로모-1H-벤즈이미다졸 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)1H-벤즈이미다졸-2-아민,1-부틸-(9CI)1H-Benzimidazol-2-amine, 1-[(4-methylphenyl)methyl]-1H-Benzimidazol-2-amine,1-(1-methylethyl)-(9CI)1H-Benzimidazol-2-amine, 1-(4-methoxyphenyl)-

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

INTATRADE GmbH+49 3493/605464 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

추가 설명

정의ChEBI: 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.