5-메틸-1,3-디하이드로-벤즈이미다졸-2-원

5-Methylbenzimidazolone

HCID 223134CAS 5400-75-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1ccc2[nH]c(=O)[nH]c2c1
InChIKey: CTCHXZUMFHNSHM-UHFFFAOYSA-N
분자식: C8H8N2O
평균 분자량: 148.16 g/mol
단동위원소 질량: 148.06366288

이름 및 식별자

우선 이름: 5-Methylbenzimidazolone
IUPAC: 5-methyl-1,3-dihydrobenzimidazol-2-one
현지명: 5-메틸-1,3-디하이드로-벤즈이미다졸-2-원
영어명: 5-METHYL-1,3-DIHYDRO-BENZIMIDAZOL-2-ONE
분자식: C8H8N2O
분자량: 148.16

이름 및 동의어

5400-75-95-Methyl-1,3-dihydro-2H-benzimidazol-2-one2H-Benzimidazol-2-one, 1,3-dihydro-5-methyl-5-METHYLBENZOIMIDAZOL-2(3H)-ONE5-Methylbenzimidazolone3G2CJM7V6A5-Methyl-2-benzimidazolinoneNSC-103842-Benzimidazolinone, 5-methyl-5-Methyl-2(3H)-benzimidazolone5-Methylbenzimidazole-2-oneDTXSID90278872

이름 더 보기

5-메틸-1,3-디하이드로-벤즈이미다졸-2-원5-Methylbenzimidazol-2(3H)-one1H-Benzimidazol-2-ol, 5-methyl-5-Methyl-1H-benzimidazol-2(3H)-one5-Methyl-1H-benzo[d]imidazol-2(3H)

1,3-Dihydro-5-methyl-2H-Benzimidazol-2-oneRefChem:103175DTXCID60230028695-910-3CTCHXZUMFHNSHM-UHFFFAOYSA-N5-Methyl-1H-benzo[d]imidazol-2(3H)-one5-methyl-1,3-dihydrobenzimidazol-2-one5-methyl-1,3-dihydro-benzimidazol-2-one

데이터베이스 식별자

CAS: 5400-75-9
PubChem CID: 223134
DTXSID: DTXSID90278872
UNII: 3G2CJM7V6A
EC Number: 695-910-3
Nikkaji: J26.611F

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 41.1 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 181

물리화학적 성질

녹는점: 292 °C · 292 °C(Solv: ethanol (64-17-5))
끓는 점: 147.7 · 147.7±10.0 °C(Predicted)
밀도: 1.201 · 1.201±0.06 g/cm3(Predicted)
저장 조건: 2 · Sealed in dry,2-8°C
물리적 상태: 고체
산도 계수 (pKa): 12.26 · 12.26±0.30(Predicted)
색상: 황백색에서 밝은 노란색까지

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 106 reports by companies from 2 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

HS 번호: 2933998090
위험 등급: IRRITANT

화학 및 산업

응용 분야 · 1건

용도5-Methyl-1H-benzo[d]imidazol-2(3H)-one is used in the preparation and structure activity relations of benzimidazolone as activators of chloride secretion and design of potential therapeutics for cystic fibrosis and chronic obstructive pulmonary disease