9-キサンテンカルボン酸メチル

methyl 9H-xanthene-9-carboxylate

HCID 699662CAS 39497-06-8

部分構造検索類似構造を探す

基本情報

標準SMILES: COC(=O)C1c2ccccc2Oc2ccccc21
InChIKey: RFHABUQANXJNQS-UHFFFAOYSA-N
分子式: C15H12O3
平均分子量: 240.25 g/mol
単同位体質量: 240.07864424

名称と識別子

優先名称: methyl 9H-xanthene-9-carboxylate
IUPAC: methyl 9H-xanthene-9-carboxylate
現地名: 9-キサンテンカルボン酸メチル
英語名: Methyl 9H-xanthene-9-carboxylate
分子式: C15H12O3
分子量: 240.25

名称と別名

methyl 9H-xanthene-9-carboxylate39497-06-8Methyl xanthanoatemethyl xanthene-9-carboxylateMFCD00100676Xanthene-9-carboxylic acid methyl ester9H-xanthene-9-carboxylic acid methyl esterMaybridge4_003227methyl 9-xanthenecarboxylateMethylxanthene-9-carboxylateOprea1_627505orb3144331

名称をさらに表示

9-キサンテンカルボン酸メチルMethylxanthene-9-carboxylate,98%Xanthene-9-Carboxylic Methyl ester

SCHEMBL2596509DTXSID20351420RFHABUQANXJNQS-UHFFFAOYSA-NHMS1530C15CS-M2864SBB057848STK424586TYD-03672

データベース識別子

CAS: 39497-06-8
PubChem CID: 699662
DTXSID: DTXSID20351420
EC Number: 809-383-6
Nikkaji: J47.579C

物性

構造計算による物性

XLogP: 2.6
極性表面積: 35.5 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 18
形式電荷: 0
複雑度: 293

物理化学的性質

沸点: 331.5 · 331.5±41.0 °C(Predicted)
比重(密度): 1.233 · 1.233±0.06 g/cm3(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 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.