기본 정보
- CAS
7621-86-5- 표준 SMILES
Nc1ccc(-c2nc3ccc(N)cc3[nH]2)cc1- InChIKey
XAFOTXWPFVZQAZ-UHFFFAOYSA-N- 분자식
- C13H12N4
- 평균 분자량
- 224.26 g/mol
- 단동위원소 질량
- 224.1061964
이름 및 식별자
- 우선 이름
- 1H-Benzimidazol-6-amine, 2-(4-aminophenyl)-
- IUPAC
- 2-(4-aminophenyl)-3H-benzimidazol-5-amine
- 현지명
- 2-(4-아미노페닐)-1H-벤즈이미다졸-5-아민
- 영어명
- 2-(4-Aminophenyl)-1H-benzimidazol-5-amine
- 분자식
- C13H12N4
- 분자량
- 224.26
이름 및 동의어
7621-86-52-(4-Aminophenyl)-1H-benzimidazol-5-amine2-(4-Aminophenyl)-5-aminobenzimidazole2-(4-Aminophenyl)-1H-benzimidazol-2-amineEINECS 231-538-6NSC 408148DTXSID00647551H-Benzimidazol-6-amine, 2-(4-aminophenyl)-Benzimidazol-5-amine, 2-(4-aminophenyl)-RefChem:237459DTXCID1047865231-538-6
이름 더 보기
2-(4-아미노페닐)-1H-벤즈이미다졸-5-아민APBIA5-amino-2-(4-aminophenyl)benzodiazol5-Amino-2-(p-aminophenyl)benzimidazole4-(5-Amino-1H-benzimidazole-2-yl)aniline2-(4-aminophenyl)-1h-benzimidazol-5-amin5-Amino-2-(4-aminophenyl)-benzimidazolee2-(4-AMINOPHENYL)-1H-BENZIMIDAZOL-6-AMINE
XAFOTXWPFVZQAZ-UHFFFAOYSA-N2-(4-Aminophenyl)-1H-benzo[d]imidazol-5-amine5-amino-2-(4-aminophenyl)benzimidazole1H-Benzimidazol-5-amine, 2-(4-aminophenyl)-2-(4-aminophenyl)-3H-benzimidazol-5-amineMFCD004514752-(4-Amino-phenyl)-3H-benzoimidazol-5-ylamineBenzimidazole, 5-amino-2-(p-aminophenyl)-
데이터베이스 식별자
- CAS
7621-86-5- PubChem CID
- 24260
- DTXSID
DTXSID0064755- ChEMBL
CHEMBL1489074- EC Number
- 231-538-6
- Nikkaji
- J2.156.601B、J307.896E
물성
구조 계산 물성
- XLogP
- 1.9
- 극성 표면적
- 80.7 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 262
물리화학적 성질
- 녹는점
- 234 to · 234.0 to 238.0 °C
- 끓는 점
- 355.66 °C · 355.66°C (rough estimate)
- 밀도
- 1.2067 · 1.2067 (rough estimate)
- 굴절률
- 1.589 · 1.5890 (estimate)
- 저장 조건
- Keep in dark place,Inert atmosphere,Room temperature
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 11.15 · 11.15±0.10(Predicted)
- 색상
- 페일베이지부터 페일브라운까지
- InChI
- InChI=1S/C13H12N4/c14-9-3-1-8(2-4-9)13-16-11-6-5-10(15)7-12(11)17-13/h1-7H,14-15H2,(H,16,17)
- InChIKey
- XAFOTXWPFVZQAZ-UHFFFAOYSA-N
- SMILES
- C1(C2=CC=C(N)C=C2)NC2=CC(N)=CC=C2N=1
- EPA
- 1 H-Benzimidazol-5-amine, · 1H-Benzimidazol-5-amine, 2-(4-aminophenyl)- (7621-86-5)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 0.7% (1 of 145) of reports.
Warning
H302 (97.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 145 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
1H-Benzimidazol-6-amine, 2-(4-aminophenyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1H-Benzimidazol-6-amine, 2-(4-aminophenyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Hazard Classes and CategoriesAcute Tox. 4 (97.2%)
안전 데이터
- tsca
- TSCA listed
- rtecs
- DD5421200
- 독성
- LD50 orl-rat: 5 g/kg GISAAA 43(9),23,78
- HS 번호
- 2933998090
화학 및 산업
용도 및 제조
U.S. Production2023: <50,000 lb
General Manufacturing Information1H-Benzimidazol-6-amine, 2-(4-aminophenyl)-: ACTIVE
응용 분야
개요2-(4-Aminophenyl)-1H-benzimidazol-5-amine (APBIA) is a synthetic raw material for the preparation of sulfonated polyimides containing benzimidazole (SPIBIs). The synthesised SPIBIs with polyhedral oligomeric silsesquioxane glycidyl ethers (G-POSS) can be used to prepare a number of novel organic-inorganic hybrid proton exchange membranes (PEMs). The obtained membranes exhibited good crosslink density at all gel fractions above 75%. The mechanical properties, oxidative stability and hydrolytic stability of the crosslinked membranes were significantly improved compared with those of pure SPIBI membranes.
상·하류 제품 정보
상류 원료
공급사100 곳
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
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