3-フェニルインダン-1-オン

1-Indanone, 3-phenyl-

HCID 98146CAS 16618-72-7

部分構造検索類似構造を探す

基本情報

標準SMILES: O=C1CC(c2ccccc2)c2ccccc21
InChIKey: SIUOTMYWHGODQX-UHFFFAOYSA-N
分子式: C15H12O
平均分子量: 208.25 g/mol
単同位体質量: 208.088815

名称と識別子

優先名称: 1-Indanone, 3-phenyl-
IUPAC: 3-phenyl-2,3-dihydroinden-1-one
現地名: 3-フェニルインダン-1-オン
英語名: 3-PHENYL-1-INDANONE
分子式: C15H12O
分子量: 208.26

名称と別名

3-Phenyl-1-indanone16618-72-71H-Inden-1-one, 2,3-dihydro-3-phenyl-1-Indanone, 3-phenyl-3-PhenylindanoneNSC 82364BRN 1370263DTXSID7013140274-07-00-01673 (Beilstein Handbook Reference)RefChem:433222(+-)-3-Phenyl-1-indanoneDTXCID20894140

名称をさらに表示

2,3-ジヒドロ-3-(フェニル)-1H-インデン-1-オン2,3-ジヒドロ-3-フェニル-1H-インデン-1-オン3-フェニル-1-インダノン3-フェニル-2,3-ジヒドロ-1H-インデン-1-オン3-フェニルインダン-1-オンAKOS BC-09643-phenyl-1-indanonTIMTEC-BB SBB008151

1H-Inden-1-one, 2,3-dihydro-3-phenyl-(9CI)625-438-53-Phenyl-2,3-dihydro-1H-inden-1-one3-Phenylindan-1-one3-phenyl-2,3-dihydroinden-1-oneMFCD00037722NSC82364MLS000691949

データベース識別子

CAS: 16618-72-7
PubChem CID: 98146
DTXSID: DTXSID701314027
ChEMBL: CHEMBL1571712
EC Number: 625-438-5
Nikkaji: J36.988H

物性

構造計算による物性

XLogP: 3.1
極性表面積: 17.1 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 1
重原子数: 16
形式電荷: 0
複雑度: 265

物理化学的性質

融点: 75 · 75-78 °C (lit.)
沸点: 148 °C/0.7 · 148 °C/0.7 mmHg (lit.)
比重(密度): 1.162 · 1.162
屈折率: 1.5361 · 1.5361 (estimate)
貯蔵温度: Sealed in dry,Room Temperature
InChI: 1S/C15H12O/c16-15-10-14(11-6-2-1-3-7-11)12-8-4-5-9-13(12)15/h1-9,14H,10H2
InChIKey: SIUOTMYWHGODQX-UHFFFAOYSA-N
SMILES: O=C1CC(c2ccccc2)c3ccccc13
CAS データベース: 16618 · 16618-72-7

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 2.5% (1 of 40) of reports.

Warning

H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 1 of 40 reports by companies.；There is 1 notification provided by 39 of 40 reports by companies with hazard statement code(s).；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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (97.5%)

安全データ

wgk: 3
rtecs: NK7538200
毒性: mouse,LD50,intravenous,180mg/kg (180mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02960,
risk_code: 22
hazard_code: Xn
safety_code: 36
Hazard Classifications: Acute Tox. 4 Oral
ストレージクラス: 11 - Combustible Solids