메틸4H-푸로[3,2-B]피롤-5-카르복실레이트

methyl 4H-furo[3,2-b]pyrrole-5-carboxylate

HCID 5082263CAS 77484-99-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COC(=O)c1cc2occc2[nH]1
InChIKey: LIIJOCBTGRORSY-UHFFFAOYSA-N
분자식: C8H7NO3
평균 분자량: 165.15 g/mol
단동위원소 질량: 165.04259309

이름 및 식별자

우선 이름: methyl 4H-furo[3,2-b]pyrrole-5-carboxylate
IUPAC: methyl 4H-furo[3,2-b]pyrrole-5-carboxylate
현지명: 메틸4H-푸로[3,2-B]피롤-5-카르복실레이트
영어명: METHYL 4H-FURO[3,2-B]PYRROLE-5-CARBOXYLATE
분자식: C8H7NO3
분자량: 165.15

이름 및 동의어

methyl 4H-furo[3,2-b]pyrrole-5-carboxylate77484-99-2DTXSID40408147methyl 4H-furo(3,2-b)pyrrole-5-carboxylateRefChem:355849DTXCID20358999641-193-74H-Furo[3,2-b]pyrrole-5-carboxylic acid methyl esterMFCD06797487methyl 4~{H}-furo[3,2-b]pyrrole-5-carboxylate4H-Furo[3,2-b]pyrrole-5-carboxylic acid methylesterSCHEMBL989408

이름 더 보기

메틸4H-푸로[3,2-B]피롤-5-카르복실레이트Methyl 4H-furo[3,2-b]pyrrol-5-carboxylate5-(Methoxycarbonyl)-4H-furo[3,2-b]pyrroleMethyl4H-furo[3,2-b]pyrrole-5-carboxylate97%Methyl 4H-furo[3,2-b]pyrrole-5-carboxylate 97%4H-Furo3,2-bpyrrol-5-carboxylic acid methyl esterfuropyrrole-5-carboxylic acid Methyl ester4H-Furo[3,2-b]pyrrole-5-carboxylic acid, methyl ester (9CI, ACI)

CHEMBL4247887BBL012140SBB087888STK894048AKOS000678658AS-5467FM155237methyl furano[2,3-d]pyrrole-5-carboxylate

데이터베이스 식별자

CAS: 77484-99-2
PubChem CID: 5082263
DTXSID: DTXSID40408147
ChEMBL: CHEMBL4247887
EC Number: 641-193-7
Nikkaji: J1.599.193C

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 55.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 195

물리화학적 성질

녹는점: 139 °C · 139 °C
끓는 점: 286.4 · 286.4±20.0 °C(Predicted)
밀도: 1.347 · 1.347±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
물리적 상태: 고체
산도 계수 (pKa): 14.22 · 14.22±0.30(Predicted)
색상: 갈색

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.