4-Ethynyl-1-fluoro-2-methylbenzene

HCID 16213797

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 351002-93-2
標準SMILES: C#Cc1ccc(F)c(C)c1
InChIKey: GSGKOWLZNQXGAI-UHFFFAOYSA-N
分子式: C9H7F
平均分子量: 134.15 g/mol
単同位体質量: 134.05317839

名称と識別子

優先名称: 4-Ethynyl-1-fluoro-2-methylbenzene
IUPAC: 4-ethynyl-1-fluoro-2-methylbenzene
英語名: 4-Ethynyl-1-fluoro-2-methylbenzene 97
分子式: C9H7F
分子量: 134.15

名称と別名

4-Ethynyl-1-fluoro-2-methylbenzene351002-93-2DTXSID30584121RefChem:98928DTXCID10534886625-006-6MFCD062006824-ethynyl-1-fluoro-2-methyl-Benzene4-Ethynyl-1-fluoro-2-methylbenzene, 97%2-AMINO-2-(1-METHYLCYCLOPROPYL)PROPIONICACIDSCHEMBL1477519SCHEMBL9996657

名称をさらに表示

Benzene, 4-ethynyl-1-fluoro-2-Methyl-4-Ethynyl-1-fluoro-2-methylbenzene 974-Ethynyl-1-fluoro-2-methylbenzene 97%Benzene, 4-ethynyl-1-fluoro-2-methyl- (9CI)

1-Ethynyl-4-fluoro-3-methyl-benzeneAKOS010651630AS-86852SY508548CS-0225238F71968J-0198EN300-1231826

データベース識別子

CAS: 351002-93-2
PubChem CID: 16213797
DTXSID: DTXSID30584121
EC Number: 625-006-6
Nikkaji: J2.320.696J

物性

構造計算による物性

XLogP: 2.6
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: 10
形式電荷: 0
複雑度: 153

物理化学的性質

沸点: 169 · 169-170 °C (lit.)
比重(密度): 1.007 g/mL · 1.007 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.5210(lit.)
闪点: 100 °F · 100 °F
貯蔵温度: 2 · 2-8°C
InChI: 1S/C9H7F/c1-3-8-4-5-9(10)7(2)6-8/h1,4-6H,2H3
InChIKey: GSGKOWLZNQXGAI-UHFFFAOYSA-N
SMILES: Cc1cc(ccc1F)C#C

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P210, P233, P240, P241, P242, P243, P264+P265, P280, P303+P361+P353, P305+P354+P338, P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 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.

危険有害性情報

Hazard Classes and CategoriesFlam. Liq. 3 (100%)；Eye Dam. 1 (100%)

安全データ

wgk: 3
ridadr: UN 1993 3/PG 3
risk_code: 10-41
hazard_code: Xi
safety_code: 26-39
Hazard Classifications: Eye Dam. 1Flam. Liq. 3
ストレージクラス: 3 - Flammable liquids

化学と産業

応用分野

一般的な説明4-Ethynyl-1-fluoro-2-methylbenzene has been reported to afford 1,4-disubstituted 1,2,3-triazole on reaction with azide under typical Cu(I)-catalyzed azide alkyne cycloaddition (CuAAC) conditions.