1-메틸벤즈이미다졸

1H-Benzimidazole, 1-methyl-

HCID 95890CAS 1632-83-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cn1cnc2ccccc21
InChIKey: FGYADSCZTQOAFK-UHFFFAOYSA-N
분자식: C8H8N2
평균 분자량: 132.16 g/mol
단동위원소 질량: 132.06874826

이름 및 식별자

우선 이름: 1H-Benzimidazole, 1-methyl-
IUPAC: 1-methylbenzimidazole
현지명: 1-메틸벤즈이미다졸
영어명: 1-Methylbenzimidazole
분자식: C8H8N2
분자량: 132.16

이름 및 동의어

1-methylbenzimidazole1632-83-31H-Benzimidazole, 1-methyl-1-Methyl-1H-benzimidazole12LW89N19YNSC-42115nsc 42115DTXSID90167530RefChem:438075DTXCID2090021605-321-5InChI=1/C8H8N2/c1-10-6-9-7-4-2-3-5-8(7)10/h2-6H,1H

이름 더 보기

1-메틸벤즈이미다졸N-Methylbenzimidazole1-Methylbenzimidazole>1-MethylbenziMidazole 99%1-Methyl-1H-benzimidazole 98%

MFCD001922751-methyl-1H-1,3-benzodiazole1-methyl benzimidazoleUNII-12LW89N19Y1-methyl-1H-benzo[d]imidazoleNSC421151 -methylbenzimidazole1-methyl-benzimidazole

데이터베이스 식별자

CAS: 1632-83-3
PubChem CID: 95890
DTXSID: DTXSID90167530
ChEMBL: CHEMBL345855
UNII: 12LW89N19Y
EC Number: 605-321-5
Nikkaji: J324.896H

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 17.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 124

실험 및 물리화학적 성질

LogP1.34

물리화학적 성질

녹는점: 59 · 59-62 °C(lit.)
끓는 점: 154 °C12 · 154 °C12 mm Hg(lit.)
밀도: 1.1254 · 1.1254
굴절률: 1.6013 · 1.6013
인화점: 154 °C/12mm · 154°C/12mm
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 메탄올에 용해됩니다.
물리적 상태: 고체
산도 계수 (pKa): 5.4 · 5.40±0.10(Predicted)
색상: 흰색에서 분홍색으로
InChI: InChI=1S/C8H8N2/c1-10-6-9-7-4-2-3-5-8(7)10/h2-6H,1H3
InChIKey: FGYADSCZTQOAFK-UHFFFAOYSA-N
SMILES: C1N(C)C2=CC=CC=C2N=1

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (91.1%): 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (91.1%)

안전 데이터

wgk: 3
HS 번호: 29339980
risk_code: 22-37/38-41
hazard_code: Xn
safety_code: 26-36/39
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도1-Methylbenzimidazole is the suitable reagent used as electrolyte additive for the dye-sensitized solar cells and solid-state dye-sensitized solar cells.

일반 설명1-Methylbenzimidazole is a heterocyclic building block. Effect of the interaction between 1-methylbenzimidazole (MBI) with Li+ and TiO2 on the performance of dye-sensitized solar cells has been investigated.