CAS 37868-26-1 2-(2,3-dihydro-1H-inden-2-yl)acetic Acid (HCID 5174955)

基本情報

CAS: 37868-26-1
標準SMILES: O=C(O)CC1Cc2ccccc2C1
InChIKey: TULDPXYHBFBRGW-UHFFFAOYSA-N
分子式: C11H12O2
平均分子量: 176.21 g/mol
単同位体質量: 176.08372962

名称と識別子

優先名称: 2-(2,3-dihydro-1H-inden-2-yl)acetic Acid
IUPAC: 2-(2,3-dihydro-1H-inden-2-yl)acetic acid
現地名: 2-(2,3-ジヒドロ-1H-インデン-2-イル)酢酸
英語名: 2-Indanylacetic acid
分子式: C11H12O2
分子量: 176.21

名称と別名

37868-26-12-(2,3-dihydro-1H-inden-2-yl)acetic AcidDTXSID10409166RefChem:1060732DTXCID803600182-INDANYLACETIC ACIDINDAN-2-YL-ACETIC ACIDMFCD00082653Indan-2-ylacetic acid2,3-DIHYDRO-1H-INDENE-2-ACETIC ACID1H-INDENE-2-ACETIC ACID, 2,3-DIHYDRO-2-indaneacetic acid

名称をさらに表示

2-(2,3-ジヒドロ-1H-インデン-2-イル)酢酸2-インダニル酢酸インダン-2-イル酢酸2-インダニル酢酸, 99%2,3-dihydro-1H-inden-1-ylacetic acid

2,3-dihydro-1H-inden-2-ylacetic acid2-indan-2-ylacetic acidindan-2-acetic acidindan-2-yl acetic acid(indan-2-yl)acetic acid2-(indan-2-yl)acetic acidIndan-2-ylacetic acid 98%SCHEMBL1340255

データベース識別子

CAS: 37868-26-1
PubChem CID: 5174955
DTXSID: DTXSID10409166
EC Number: 670-419-7

物性

構造計算による物性

XLogP: 2
極性表面積: 37.3 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 13
形式電荷: 0
複雑度: 186

物理化学的性質

融点: 91 · 91-93°C
沸点: 344.5 · 344.5±11.0 °C(Predicted)
比重(密度): 1.169 · 1.169±0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
酸解離定数(Pka): 4.7 · 4.70±0.10(Predicted)
水溶解度: 水に不溶。
BRN: 2616409 · 2616409

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]；H335 (100%): 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 4 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.