1-Ethynyl-4-(trifluoromethyl)benzene (HCID 4348295)

이름 및 식별자

우선 이름: 1-Ethynyl-4-(trifluoromethyl)benzene
IUPAC: 1-ethynyl-4-(trifluoromethyl)benzene
영어명: 4'-TRIFLUOROMETHYLPHENYL ACETYLENE
분자식: C9H5F3
분자량: 170.13

이름 및 동의어

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)-benzene

이름 더 보기

4-Ethynyltrifluoroluene4-ethynyl-trifluorotoluene-4-Ethynyl-α,α,α-trifluorotoluene4-(Trifluoromethyl)ethynylbenzene4-(Trifluoromethyl)phenylacetylene99%

4-Ethynylbenzotrifluoride4-trifluoromethylphenylacetylene4-Ethynyl-a,a,a-trifluorotolueneBENZENE, 1-ETHYNYL-4-(TRIFLUOROMETHYL)-[4-(Trifluoromethyl)phenyl]acetylene4-ethynyl-1-(trifluoromethyl)benzene4-TrifluoromethylphenylethyneSCHEMBL202305

데이터베이스 식별자

CAS: 705-31-7
PubChem CID: 4348295
DTXSID: DTXSID20402209
EC Number: 628-941-8
Nikkaji: J1.144.595K

물성

구조 계산 물성

XLogP: 3.2
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 188

물리화학적 성질

녹는점: 103 · 103-105 °C
끓는 점: 78 · 78-80 °C2 mm Hg(lit.)
밀도: 1.043 g/mL · 1.043 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.4650(lit.)
인화점: 69 °F · 69 °F
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
물리적 상태: 액체
색상: 무색~황색으로 투명함
InChI: InChI=1S/C9H5F3/c1-2-7-3-5-8(6-4-7)9(10,11)12/h1,3-6H
InChIKey: XTKBMZQCDBHHKY-UHFFFAOYSA-N
SMILES: C1(C#C)=CC=C(C(F)(F)F)C=C1

화학적 성질

Pale yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

안전 데이터

wgk: 3
ridadr: UN 1993 3/PG 2
HS 번호: 29039990
risk_code: 11
hazard_code: F,Xi,F+
safety_code: 16-26-36-45
포장분류: Ⅱ
위험 등급: 3
위험 참고 사항: Irritant
Hazard Classifications: Flam. Liq. 2
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야 · 2건

용도4-Ethynyl-α,α,α-trifluorotoluene may be used to synthesize the following: 6,13-bis(4-trifluoromethylphenylethynyl)pentacene1,2-dialkynylimidazolestrans-[Co(cyclam)(p-CCC6H4CF3)2]OTf complex (where cyclam - 1,4,8,11-tetraazacyclotetradecane; 4-ethynyl-α,α,α-trifluorotoluene - p-CCC6H4CF3; OTf- trifluoromethane sulfonate)3-spiroazetidinimine-2-oxindoles

일반 설명4-Ethynyl-α,α,α-trifluorotoluene reacts with ethanol to afford the corresponding α,β-alkynyl ester. 4-Ethynyl-α,α,α-trifluorotoluene plays the role of a functionalized alkyne in copper-catalyzed azide-alkyne cycloaddition (CuAAC) reaction on BrPP thin films.