Acetic acid 10-acetoxymethyl-anthracen-9-ylmethyl ester

HCID 613145CAS 10273-84-4

基本情報

標準SMILES: CC(=O)OCc1c2ccccc2c(COC(C)=O)c2ccccc12
InChIKey: BVPQUFPFMVPKTA-UHFFFAOYSA-N
分子式: C20H18O4
平均分子量: 322.4 g/mol
単同位体質量: 322.12050905

名称と識別子

優先名称: Acetic acid 10-acetoxymethyl-anthracen-9-ylmethyl ester
IUPAC: [10-(acetyloxymethyl)anthracen-9-yl]methyl acetate
英語名: (10-[(Acetyloxy)methyl]-9-anthryl)methyl acetate
分子式: C20H18O4
分子量: 322.35

名称と別名

ACETIC ACID 10-ACETOXYMETHYL-ANTHRACEN-9-YLMETHYL ESTERRefChem:551884682-982-610273-84-4Anthracene-9,10-diylbis(methylene) diacetate[10-(acetyloxymethyl)anthracen-9-yl]methyl acetate(10-[(Acetyloxy)methyl]-9-anthryl)methyl acetate9,10-Anthracenedimethanol, 9,10-diacetate{10-[(acetyloxy)methyl]anthracen-9-yl}methyl acetateBIDD:GT0241SCHEMBL4647196SCHEMBL29853925

名称をさらに表示

9,10-Bis-acetoxymethyl-anthracen9,10-Bis(Bromethyl)AnthraceneAnthracene-9,10-diylbis(methyl) diacetateanthracene-9，10-diylbis(methylene) diacetic acidester

DTXSID503465469,10-bis(acetoxymethyl)anthraceneMFCD00229356NSC8436959,10-Anthracenedimethanol, diacetateAKOS024331822HS-3284NSC-843695

データベース識別子

CAS: 10273-84-4
PubChem CID: 613145
DTXSID: DTXSID50346546
EC Number: 682-982-6

物性

構造計算による物性

XLogP: 3.8
極性表面積: 52.6 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 6
重原子数: 24
形式電荷: 0
複雑度: 395

物理化学的性質

融点: 224 · 224-225 °C
沸点: 480.3 · 480.3±25.0 °C(Predicted)
比重(密度): 1.224 · 1.224±0.06 g/cm3(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 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.