1-(4-フルオロ-3-メチルフェニル)-3,3,5,5-テトラメチルシクロヘキセン

4'-Fluoro-3,3,3',5,5-pentamethyl-2,3,4,5-tetrahydro-1,1'-biphenyl

HCID 2769351

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 144977-47-9
標準SMILES: Cc1cc(C2=CC(C)(C)CC(C)(C)C2)ccc1F
InChIKey: DGWOCNOIHNULTH-UHFFFAOYSA-N
分子式: C17H23F
平均分子量: 246.36 g/mol
単同位体質量: 246.17837896

名称と識別子

優先名称: 4'-Fluoro-3,3,3',5,5-pentamethyl-2,3,4,5-tetrahydro-1,1'-biphenyl
IUPAC: 1-fluoro-2-methyl-4-(3,3,5,5-tetramethylcyclohexen-1-yl)benzene
現地名: 1-(4-フルオロ-3-メチルフェニル)-3,3,5,5-テトラメチルシクロヘキセン
英語名: 1-(4-Fluoro-3-methylphenyl)-3,3,5,5-tetramethylcyclohexene
分子式: C17H23F
分子量: 246.36

名称と別名

144977-47-94'-Fluoro-3,3,3',5,5-pentamethyl-2,3,4,5-tetrahydro-1,1'-biphenylDTXSID00377683RefChem:283424DTXCID003287111-(4-Fluoro-3-methylphenyl)-3,3,5,5-tetramethylcyclohexene1-fluoro-2-methyl-4-(3,3,5,5-tetramethylcyclohexen-1-yl)benzene1-fluoro-2-methyl-4-(3,3,5,5-tetramethylcyclohex-1-en-1-yl)benzeneDGWOCNOIHNULTH-UHFFFAOYSA-NSCHEMBL9446252SCHEMBL9460336C17H23F

名称をさらに表示

1-(4-フルオロ-3-メチルフェニル)-3,3,5,5-テトラメチルシクロヘキセンfluoromethylphenyltetramethylcyclohexene1-(4-Fluoro-3-methylphenyl)-3,3,5,5-tetramethyl1-(4-FLUORO-3-METHYLPHENYL)-3,3,5,5-TETRAETHYLCYCLOHEXENE1-(4-FLUORO-3-METHYLPHENYL)-3,3,5,5-TETRAMETHYLCYCLOHEXENE 98+%Benzene, 1-fluoro-2-methyl-4-(3,3,5,5-tetramethyl-1-cyclohexen-1-yl)-

MFCD01631308AKOS025294517F0377D906681-fluoro-2-methyl-4-(3,3,5,5-tetramethyl-1-cyclohexen-1-yl)benzene

データベース識別子

CAS: 144977-47-9
PubChem CID: 2769351
DTXSID: DTXSID00377683
EC Number: 671-142-4

物性

構造計算による物性

XLogP: 5.6
極性表面積: 0 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: 18
形式電荷: 0
複雑度: 338

物理化学的性質

沸点: 296.7 · 296.7±29.0 °C(Predicted)
比重(密度): 0.98 · 0.98
屈折率: 1.517 · 1.5170-1.5210
比重: 0.98 · 0.98

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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)

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