1-메틸-2-포르밀벤즈이미다졸

1-methyl-1H-1,3-benzodiazole-2-carbaldehyde

HCID 762084CAS 3012-80-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cn1c(C=O)nc2ccccc21
InChIKey: SIRPHJCQZYVEES-UHFFFAOYSA-N
분자식: C9H8N2O
평균 분자량: 160.17 g/mol
단동위원소 질량: 160.06366288

이름 및 식별자

우선 이름: 1-methyl-1H-1,3-benzodiazole-2-carbaldehyde
IUPAC: 1-methylbenzimidazole-2-carbaldehyde
현지명: 1-메틸-2-포르밀벤즈이미다졸
영어명: 1-Methyl-2-formylbenzimidazole
분자식: C9H8N2O
분자량: 160.17

이름 및 동의어

1-METHYL-2-FORMYLBENZIMIDAZOLE1-methyl-1H-1,3-benzodiazole-2-carbaldehydeRefChem:433803681-668-63012-80-41-methyl-1H-benzo[d]imidazole-2-carbaldehyde1-methyl-1H-benzimidazole-2-carbaldehyde1-methylbenzimidazole-2-carbaldehyde1-Methyl-1H-benzimidazole-2-carboxaldehyde1-Methyl-1H-benzoimidazole-2-carbaldehydeMFCD001426551H-Benzimidazole-2-carboxaldehyde, 1-methyl-

이름 더 보기

1-메틸-2-포르밀벤즈이미다졸AKOSAKOS BC-1517ZERENEX EZX001709TIMTEC-BB SBB0100511-Methyl-2-formylbenzimidazole 97%1-methyl-2-formyl-1H-benzimidazole1-Methyl-2-formylbenzimidazole, 99+%

SCHEMBL1028932-formyl-1-methylbenzimidazoleDTXSID30354023STL3712441-methylbenzimidazole-2-carboxaldehyde1-methyl-1H-benzoimidazol-2-carbaldehydeSY0613082-Formyl-1-methyl-1H-benzimidazole

데이터베이스 식별자

CAS: 3012-80-4
PubChem CID: 762084
DTXSID: DTXSID30354023
EC Number: 681-668-6
Nikkaji: J2.719.242D

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 34.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 183

물리화학적 성질

녹는점: 114 · 114-116 °C
끓는 점: 286.07 °C · 286.07°C (rough estimate)
밀도: 1.1846 · 1.1846 (rough estimate)
굴절률: 1.557 · 1.5570 (estimate)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): 3 · 3+-.0.10(Predicted)
물리적 상태: 결정성 분말
색상: 미색부터 밝은 베이지까지

화학적 성질

OFF-WHITE TO LIGHT BEIGE CRYSTALLINE POWDER

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (11.1%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 9 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (11.1%)

안전 데이터

HS 번호: 29339900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 37/39-26
위험 등급: IRRITANT

화학 및 산업

응용 분야

용도1-Methyl-1H-benzimidazole-2-carboxaldehyde is a reagent used for the synthesis of dual protein kinase B alpha (AKT) and nuclear factor kappa-light-chain-enchancer of activated B cells (NF-κB) against melanoma.