홈MCP워크벤치Skills
홈워크벤치알림마이페이지
llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
  1. 홈
  2. /화합물

2-아미노벤즈이미다졸

2-Aminobenzimidazole

HCID 13624
새 노트새 반응견적 요청하기
인쇄 미리보기
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
934-32-7
표준 SMILES
Nc1nc2ccccc2[nH]1
InChIKey
JWYUFVNJZUSCSM-UHFFFAOYSA-N
분자식
C7H7N3
평균 분자량
133.15 g/mol
단동위원소 질량
133.06399724

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-27793DTXCID0044652-aminobenzimidazole monosulfateCHEBI:27822
이름 더 보기
2-아미노벤즈이미다졸usafek-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

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 Ų
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

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

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

Pesticide degradation product

LogP1.34
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)

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

물리화학적 성질

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

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.
Hazard Classes and CategoriesAcute Tox. 4 (100%)

화학 및 산업

용도 및 제조

Use Classification · 3건

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

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

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

Oxibendazole2-아미노-1-메틸벤즈이미다졸2-브로모-1H-벤즈이미다졸1H-Benzimidazol-2-amine, 1-(2-methoxyphenyl)-Pyrimido[1,2-a]benzimidazole, 2,4-dimethyl- (6CI,7CI,8CI,9CI)

관련 반응

178건
반응 기록 만들기
HRID 7183 반응식
HRID 7183반응물로uspto-grants-2006_08
HRID 16542 반응식
HRID 16542생성물로uspto-grants-2010_06
HRID 29147 반응식
HRID 29147반응물로uspto-grants-2008_09
HRID 59461 반응식
HRID 59461반응물로uspto-grants-2016_09
HRID 86326 반응식
HRID 86326반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 90520 반응식
HRID 90520반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 102642 반응식
HRID 102642생성물로반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 104312 반응식
HRID 104312반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)
1 / 23 페이지

화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
더보기
새 노트새 반응견적 요청하기
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 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
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)-

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.