3,3-Diphenylpropanal

HCID 11074664

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部分構造検索類似構造を探す

基本情報

CAS: 4279-81-6
標準SMILES: O=CCC(c1ccccc1)c1ccccc1
InChIKey: BYNJCCMGUBTMJZ-UHFFFAOYSA-N
分子式: C15H14O
平均分子量: 210.27 g/mol
単同位体質量: 210.10446507

名称と識別子

優先名称: 3,3-Diphenylpropanal
IUPAC: 3,3-diphenylpropanal
英語名: 3,3-DIPHENYLPROPIONALDEHYDE
分子式: C15H14O
分子量: 210.27

名称と別名

3,3-diphenylpropanal3,3-diphenylpropionaldehyde4279-81-63,3-diphenyl-propionaldehydeMFCD204839083-diphenylpropan-1-one3,3-Diphenylpropanaldehyde3,3-diphenylpropan-1-oneSCHEMBL68782SCHEMBL833319BYNJCCMGUBTMJZ-UHFFFAOYSA-NAKOS022650229

名称をさらに表示

DB-217781F1913-0617

データベース識別子

CAS: 4279-81-6
PubChem CID: 11074664
EC Number: 113-985-8
Nikkaji: J853.116A

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: 4
重原子数: 16
形式電荷: 0
複雑度: 181

物理化学的性質

外見: solid
InChI: 1S/C15H14O/c16-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,12,15H,11H2
InChIKey: BYNJCCMGUBTMJZ-UHFFFAOYSA-N

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.