1-Ethynyl-2-fluorobenzene

HCID 643358CAS 766-49-4

기본 정보

표준 SMILES: C#Cc1ccccc1F
InChIKey: YFPQIXUNBPQKQR-UHFFFAOYSA-N
분자식: C8H5F
평균 분자량: 120.12 g/mol
단동위원소 질량: 120.03752838

이름 및 식별자

우선 이름: 1-Ethynyl-2-fluorobenzene
IUPAC: 1-ethynyl-2-fluorobenzene
영어명: 1-ETHYNYL-2-FLUOROBENZENE
분자식: C8H5F
분자량: 120.12

이름 및 동의어

1-ethynyl-2-fluorobenzene766-49-4benzene, 1-ethynyl-2-fluoro-DTXSID20997928RefChem:432687DTXCID301424925626-528-7InChI=1/C8H5F/c1-2-7-5-3-4-6-8(7)9/h1,3-62-Fluorophenylacetylene1-ethynyl-2-fluoro-benzene2'-fluorophenyl acetylene2-fluorophenylethyne

이름 더 보기

1-ETHYNYL-2-FL2-Fluorophenylacetylene 97%1-Ethynyl-2-fluorobenzene>Benzene, 1-ethynyl-2-fluoro-1-Ethynyl-2-fluorobenzene,97%1-Ethynyl-2-fluorobenzene, 97% 1GR1-Ethynyl-2-fluorobenzene, 97% 250MG

2'-fluorophenylacetyleneMFCD007995402-fluoro-phenylacetyleneSCHEMBL114436PS-9228EN300-96280Z1080385538(2-fluorophenyl)acetylene

데이터베이스 식별자

CAS: 766-49-4
PubChem CID: 643358
DTXSID: DTXSID20997928
EC Number: 626-528-7
Nikkaji: J733.114B

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: 131

물리화학적 성질

끓는 점: 150 °C · 150 °C (lit.)
밀도: 1.06 g/mL · 1.06 g/mL at 25 °C (lit.)
굴절률: 1.524 · 1.524-1.527
인화점: 37 °C · 37 °C
저장 조건: 2 · 2-8°C
물리적 상태: 액체
색상: 투명한 노란색에서 갈색을 띤다.
InChI: 1S/C8H5F/c1-2-7-5-3-4-6-8(7)9/h1,3-6H
InChIKey: YFPQIXUNBPQKQR-UHFFFAOYSA-N
SMILES: Fc1ccccc1C#C

화학적 성질

clear yellow to brownish liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 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. Liq. 3 (100%)

안전 데이터

wgk: 3
ridadr: UN 1993 3/PG 3
HS 번호: 29039990
risk_code: 36/37/38-10
hazard_code: Xi
safety_code: 37/39-26-16-36
포장분류: III
위험 등급: 3
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야 · 2건

용도1-Ethynyl-2-fluorobenzene has been employed in the cross-coupling of phenylacetylenes. It may be used in the preparation of 3-(2-deoxy-β-D-ribofuranosyl)-6-(2-fluorophenyl)-2,3-dihydrofuro-[2,3-d]pyrimidin-2-one and 4-(2-fluorophenylethynyl)-3-methyl-5-phenylisoxazole.

일반 설명1-Ethynyl-2-fluorobenzene, a fluorinated benzene derivative, is a terminal alkyne.