ethyl 2-bromo-1,4-dimethyl-1H-imidazole-5-carboxylate

HCID 13897513CAS 113444-43-2

기본 정보

표준 SMILES: CCOC(=O)c1c(C)nc(Br)n1C
InChIKey: MPOYJJZUWSCBJH-UHFFFAOYSA-N
분자식: C8H11BrN2O2
평균 분자량: 247.09 g/mol

이름 및 식별자

우선 이름: ethyl 2-bromo-1,4-dimethyl-1H-imidazole-5-carboxylate
IUPAC: ethyl 2-bromo-3,5-dimethylimidazole-4-carboxylate
영어명: ethyl 2-bromo-3,5-dimethylimidazole-4-carboxylate
분자식: C8H11BrN2O2
분자량: 247.09

이름 및 동의어

113444-43-2Ethyl 2-bromo-1,4-dimethyl-1H-imidazole-5-carboxylateRefChem:594233824-464-6ETHYL 2-BROMO-3,5-DIMETHYLIMIDAZOLE-4-CARBOXYLATEMFCD086694011H-Imidazole-5-carboxylic acid, 2-bromo-1,4-dimethyl-, ethyl esterEthyl 2-Bromo-1,4-dimethylimidazole-5-carboxylateSCHEMBL370542MPOYJJZUWSCBJH-UHFFFAOYSA-NNEA44443ZB0365

이름 더 보기

2-BROMO-1,4-DIMETHYL-1H-IMIDAZOLE-5-CARBOXYLATEethyl2-bromo-1,4-dimethyl-1H-imidazole-5-carboxylate(WX191955)

AKOS022185828SY046308DB-163883CS-0441145EN300-135007F86984ethyl 2-bromo-3,5-dimethyl-imidazole-4-carboxylateEthyl2-bromo-1,4-dimethyl-1H-imidazole-5-carboxylate

데이터베이스 식별자

CAS: 113444-43-2
PubChem CID: 13897513
EC Number: 824-464-6

물성

구조 계산 물성

XLogP: 2
극성 표면적: 44.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 201

물리화학적 성질

끓는 점: 333.2 · 333.2±34.0 °C(Predicted)
밀도: 1.52 · 1.52±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 1.58 · 1.58±0.60(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P261, P264, P264+P265, P270, P271, P280, 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.