2-메틸벤지미다졸
2-Methylbenzimidazole
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기본 정보
- CAS
30304-58-6- 표준 SMILES
Cc1nc2ccccc2[nH]1- InChIKey
LDZYRENCLPUXAX-UHFFFAOYSA-N- 분자식
- C8H8N2
- 평균 분자량
- 132.16 g/mol
- 단동위원소 질량
- 132.06874826
개요
2-Methyl-1H-benzo[d]imidazole is a member of benzimidazoles.
이름 및 식별자
- 우선 이름
- 2-Methylbenzimidazole
- IUPAC
- 2-methyl-1H-benzimidazole
- 현지명
- 2-메틸벤지미다졸
- 영어명
- 2-Methylbenzimidazole
- 분자식
- C8H8N2
- 분자량
- 132.16
이름 및 동의어
2-METHYLBENZIMIDAZOLE615-15-62-Methyl-1H-benzimidazole1H-Benzimidazole, 2-methyl-1H-Benzimidazole, methyl-ZH8IWW7Y8BDTXSID5060641RefChem:882592-MBIADTXCID0043050210-411-92-methyl-1H-benzo[d]imidazole
이름 더 보기
2-메틸벤지미다졸2-methyl-benzimidazolMethylbenziMidazoleAKOS 90363RARECHEM AQ NN 00672-METHYLENZIMIDAZOLE
Benzimidazole, 2-methyl-2-Methyl-1H-benzoimidazole2-METHYL-1H-1,3-BENZODIAZOLEMFCD00005598Acetamidine, N-N'-o-phenylene-2-METHYL-1H-1,3-BENZIMIDAZOLEMethyl-2-benzimidazole1H-2-Methylbenzimidazol
데이터베이스 식별자
- CAS
30304-58-6、615-15-6- PubChem CID
- 11984
- DTXSID
DTXSID5060641- ChEMBL
CHEMBL309135- ChEBI
CHEBI:194887- UNII
- ZH8IWW7Y8B
- EC Number
- 210-411-9
- Nikkaji
- J3.001E
물성
구조 계산 물성보충 중
- XLogP
- 2.2
- 극성 표면적
- 28.7 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 124
실험 및 물리화학적 성질
Chemical ClassesNitrogen Compounds -> Imidazoles
SpringerMaterials PropertiesChemical shift
LogP1.84
Vapor Pressure0.0000274 [mmHg]
Physical DescriptionBeige crystalline solid; [Sigma-Aldrich MSDS]
물리화학적 성질
- 녹는점
- 175 · 175-177 °C (lit.)
- 끓는 점
- 234.08 °C · 234.08°C (rough estimate)
- 밀도
- 1.1083 · 1.1083 (rough estimate)
- 굴절률
- 1.6013 · 1.6013 (estimate)
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 산도 계수 (pKa)
- 6.19 · 6.19(at 25℃)
- 물리적 상태
- 결정성 분말
- 색상
- 라이트 베이지부터 브라운까지
- 수용성
- 약간 용해됨
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H302 (89.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: 1H-Benzimidazole, 2-methyl-
1H-Benzimidazole, 2-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryAn irritant that may cause serious eye injury; Harmful by ingestion; [Sigma-Aldrich MSDS] See Benzimidazole.
Hazard Classes and CategoriesAcute Tox. 4 (89.6%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- DD9100000
- HS 번호
- 29339990
- risk_code
- 22-37/38-41-20/21/22
- hazard_code
- Xn
- safety_code
- 26-39-45-44
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
General Manufacturing Information1H-Benzimidazole, 2-methyl-: ACTIVE
응용 분야
용도2-Methylbenzimidazole is an important pharmacophore widely used in medicinal chemistry for the synthesis of various antibacterial and antifungal agents.It can be used as a key precursor to synthesize substituted benzimidazo[1,2-a]quinolones.It can be used in the synthesis of reversible solid-to-liquid phase transition coordination polymer crystals.2-Methylbenzimidazole also exhibits corrosion inhibition.
제조 방법
2-Methylbenzimidazole is synthesized by the condensation of o-phenylenediamine with acetic acid. The mixture of o-phenylenediamine and acetic acid is heated at 100°C for 2 hours and then cooled slowly. 10% sodium hydroxide solution is added slowly to the mixture until it is slightly alkaline. The mixture is filtered and washed with cold water. The crude product is then recrystallized with water and decolorized with activated charcoal to obtain the final product. The yield is 68%.
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