에틸렌4-BROMO-3,5-DIMETHYL-1H-피롤-2-카복실레이트

ethyl 4-bromo-3,5-dimethyl-1H-pyrrole-2-carboxylate

HCID 138486

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 5408-07-1
표준 SMILES: CCOC(=O)c1[nH]c(C)c(Br)c1C
InChIKey: POLBZQUAKJYNIF-UHFFFAOYSA-N
분자식: C9H12BrNO2
평균 분자량: 246.1 g/mol
단동위원소 질량: 245.00514072

이름 및 식별자

우선 이름: ethyl 4-bromo-3,5-dimethyl-1H-pyrrole-2-carboxylate
IUPAC: ethyl 4-bromo-3,5-dimethyl-1H-pyrrole-2-carboxylate
현지명: 에틸렌4-BROMO-3,5-DIMETHYL-1H-피롤-2-카복실레이트
영어명: Ethyl 4-bromo-3,5-dimethyl-1H-pyrrole-2-carboxylate
분자식: C9H12BrNO2
분자량: 246.1

이름 및 동의어

ethyl 4-bromo-3,5-dimethyl-1H-pyrrole-2-carboxylateRefChem:595343841-374-25408-07-1MFCD026470511H-Pyrrole-2-carboxylic acid, 4-bromo-3,5-dimethyl-, ethyl esterethyl 4-bromo-3,5-dimethylpyrrole-2-carboxylateNSC107614-bromo-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl esterSCHEMBL2026881DTXSID20202408POLBZQUAKJYNIF-UHFFFAOYSA-N

이름 더 보기

에틸렌4-BROMO-3,5-DIMETHYL-1H-피롤-2-카복실레이트Ethyl 4-bromo-3Ethyl4-bromo-3,5-dimethyl-1H-pyrrole-2-carboxylate97%Ethyl 4-bromo-3,5-dimethyl-1H-pyrrole-2-carboxylate 97%Pyrrole-2-carboxylic acid, 4-bromo-3,5-dimethyl-, ethyl ester

CS-B1574NSC 10761NSC-10761SBB053895AKOS015899109SB62088SY143684TS-03392

데이터베이스 식별자

CAS: 5408-07-1
PubChem CID: 138486
DTXSID: DTXSID20202408
EC Number: 841-374-2
Nikkaji: J694.636D

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 42.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 198

물리화학적 성질

저장 조건: 2 · Storage temp. 2-8°C

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.