2-메틸벤지미다졸

2-Methylbenzimidazole

HCID 11984CAS 30304-58-6

기본 정보

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 물성

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

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)

화학적 성질

light beige to brown crystalline powder. Soluble in alcohol, ether, hot water and sodium hydroxide solution, insoluble in benzene.

안전 및 규제

GHS 분류

GHS Classification · 4건

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 · 2건

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

화학 및 산업

용도 및 제조

General Manufacturing Information1H-Benzimidazole, 2-methyl-: ACTIVE
응용 분야 · 1건

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 · 1건

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%.

공급사50 곳

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