CAS 766-98-3 1-Ethynyl-4-fluorobenzene (HCID 522627)

이름 및 식별자

우선 이름: 1-Ethynyl-4-fluorobenzene
IUPAC: 1-ethynyl-4-fluorobenzene
영어명: 4-Fluorophenylacetylene
분자식: C8H5F
분자량: 120.12

이름 및 동의어

1-Ethynyl-4-fluorobenzene4-Fluorophenylacetylene766-98-3Benzene, 1-ethynyl-4-fluoro-(p-Fluorophenyl)acetylene4-FC6H4CCHDTXSID103350171-ETHYNYL,4-FLUORO-BENZENERefChem:75789DTXCID60286106616-372-8InChI=1/C8H5F/c1-2-7-3-5-8(9)6-4-7/h1,3-6

이름 더 보기

-4-fL4-Ethynyl fluorobenzene1-ETHINYL-4-FLUOR-BENZOL1-(4-Fluorophenyl)ethyne

QXSWHQGIEKUBAS-UHFFFAOYSA-N1-ethynyl-4-fluoro-benzeneMFCD00168823(4-fluorophenyl)acetylene4'-fluorophenyl acetylene1-fluoro-4-ethynylbenzene4-ethynyl-1-fluorobenzene1-Ethynyl-4-fluoro-benzene; 1-Fluoro-4-ethynylbenzene;

데이터베이스 식별자

CAS: 766-98-3
PubChem CID: 522627
DTXSID: DTXSID10335017
ChEMBL: CHEMBL233810
EC Number: 616-372-8
Nikkaji: J146.410H

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 123

물리화학적 성질

녹는점: 26 · 26-27 °C(lit.)
끓는 점: 55 · 55-56 °C40 mm Hg(lit.)
밀도: 1.048 g/mL · 1.048 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.516(lit.)
인화점: 29 °C · 29 °C
저장 조건: 2 · 2-8°C
용해도: soluble in Chloroform, Diethyl Ether, Ethanol
물리적 상태: 녹은 후에 액체
Specific Gravity: 1.048 · 1.048
색상: 무색~황색으로 투명함
수용성: 클로로포름, 디에틸 에테르, 아세톤, 디클로로메탄, 헥산 및 에탄올에 용해됩니다. 톨루엔에 잘 용해됩니다. 물에 불용성.
BRN: 1099285 · 1099285
InChI: 1S/C8H5F/c1-2-7-3-5-8(9)6-4-7/h1,3-6H
InChIKey: QXSWHQGIEKUBAS-UHFFFAOYSA-N
SMILES: Fc1ccc(cc1)C#C
NIST: 4 · 4-FC6H4CCH(766-98-3)

화학적 성질

White Crystalline Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H228 (98.1%): Flammable solid [Danger Flammable solids]

P210, P240, P241, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 53 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesFlam. Sol. 1 (98.1%)

안전 데이터

wgk: 3
ridadr: UN 1325 4.1/PG 2
HS 번호: 29039990
risk_code: 36/37/38-11-10
hazard_code: F,Xi
safety_code: 16-26-36-37/39
포장분류: II
위험 등급: 4.1
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2Flam. Sol. 1Skin Irrit. 2STOT SE 3
스토리지 클래스: 4.1B - Flammable solid hazardous materials

화학 및 산업

응용 분야 · 2건

용도Intermediates of Liquid Crystals

일반 설명1-Ethynyl-4-fluorobenzene (pFAB) is a fluorobenzene derivative. Trianionic pincer alkylidyne complex catalyzed polymerization of 1-ethynyl-4-fluorobenzene has been reported. The surface of the iodophenyl-terminated organic monolayers has been modified by Sonogashira coupling of the iodophenyl groups found on the surface with pFAB. Dimerization catalyzed by Y[N(TMS)2]3 and 4-chloroaniline gave exclusive formation of one of three possible enediynes in excellent yield.