HCID4348295

1-Ethynyl-4-(trifluoromethyl)benzene

C9H5F3170.13 g/molCAS 705-31-7

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IDENTITY

结构与身份

标准 SMILES: C#Cc1ccc(C(F)(F)F)cc1
InChIKey: XTKBMZQCDBHHKY-UHFFFAOYSA-N
分子式: C9H5F3
平均分子量: 170.13 g/mol
单同位素质量: 170.03433465

COMPUTED

结构计算性质

已同步

XLogP: 3.2
极性表面积: 0 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 1
重原子: 12
形式电荷: 0
复杂度: 188

GHS

GHS 分类

来源：PubChem

GHS Classification

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

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

Aggregated GHS information provided per 43 reports by companies from 1 notifications to the ECHA C&L Inventory.；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.

HAZARDS

危害信息

来源：PubChem

Hazard Classes and Categories

Flam. Liq. 2 (100%)

ALIASES

名称与别名

共 41 条

1-ethynyl-4-(trifluoromethyl)benzene705-31-7DTXSID20402209RefChem:230450DTXCID60353064628-941-84-(Trifluoromethyl)phenylacetylene4'-Trifluoromethylphenyl acetylene4-Ethynyl-alpha,alpha,alpha-trifluorotolueneMFCD018619034-Ethynyl-|A,|A,|A-trifluorotoluene1-ethynyl-4-(trifluoromethyl)-benzene4-Ethynylbenzotrifluoride4-trifluoromethylphenylacetylene4-Ethynyl-a,a,a-trifluorotolueneBENZENE, 1-ETHYNYL-4-(TRIFLUOROMETHYL)-[4-(Trifluoromethyl)phenyl]acetylene4-ethynyl-1-(trifluoromethyl)benzene4-TrifluoromethylphenylethyneSCHEMBL202305

REACTIONS