4H-フロ[3,2-B]ピロール-5-カルボン酸メチル

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

HCID 5082263CAS 77484-99-2

部分構造検索類似構造を探す

基本情報

標準SMILES: COC(=O)c1cc2occc2[nH]1
InChIKey: LIIJOCBTGRORSY-UHFFFAOYSA-N
分子式: C8H7NO3
平均分子量: 165.15 g/mol
単同位体質量: 165.04259309

名称と識別子

優先名称: methyl 4H-furo[3,2-b]pyrrole-5-carboxylate
IUPAC: methyl 4H-furo[3,2-b]pyrrole-5-carboxylate
現地名: 4H-フロ[3,2-B]ピロール-5-カルボン酸メチル
英語名: METHYL 4H-FURO[3,2-B]PYRROLE-5-CARBOXYLATE
分子式: C8H7NO3
分子量: 165.15

名称と別名

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

名称をさらに表示

4H-フロ[3,2-B]ピロール-5-カルボン酸メチル4H‐フロ[3,2‐B]ピロール‐5‐カルボン酸メチル4H-フロ[3,2-B]ピロール-5-カルボン酸メチルエステルメチル 4H-フロ[3,2-b]ピロール-5-カルボキシラートMethyl 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

データベース識別子

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

物性

構造計算による物性

XLogP: 1.4
極性表面積: 55.2 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 12
形式電荷: 0
複雑度: 195

物理化学的性質

融点: 139 °C · 139 °C
沸点: 286.4 · 286.4±20.0 °C(Predicted)
比重(密度): 1.347 · 1.347±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
外見: solid
酸解離定数(Pka): 14.22 · 14.22±0.30(Predicted)
色: Brown
CAS データベース: 77484 · 77484-99-2

安全と法規制

GHS分類

GHS Classification · 5 件

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.