1-Ethynyl-3,5-difluorobenzene

HCID 4206806

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 151361-87-4
표준 SMILES: C#Cc1cc(F)cc(F)c1
InChIKey: OTDGZDMGSFBZLI-UHFFFAOYSA-N
분자식: C8H4F2
평균 분자량: 138.11 g/mol
단동위원소 질량: 138.02810645

이름 및 식별자

우선 이름: 1-Ethynyl-3,5-difluorobenzene
IUPAC: 1-ethynyl-3,5-difluorobenzene
영어명: 1-Ethynyl-3 5-difluorobenzene 97
분자식: C8H4F2
분자량: 138.11

이름 및 동의어

1-Ethynyl-3,5-difluorobenzene151361-87-4DTXSID40400843RefChem:230437DTXCID30351698626-084-43,5-DifluorophenylacetyleneMFCD04039982BENZENE, 1-ETHYNYL-3,5-DIFLUORO-SCHEMBL3143171-ETHYNYL-3 5-DIFLUOROBENZENE 971-Ethynyl-3,5-difluorobenzene, 97%

이름 더 보기

Ethynyl-[3,5-Difluorophenyl]ethyne1-Ethynyl-3,5-fluorobenzene3,5-Difluorophenylacetylene 97%1-acetylene-3, 5-difluorobenzene1-Ethynyl-3,5-difluorobenzene 97%Benzene, 1-ethynyl-3,5-difluoro- (9CI)1-Ethynyl-3,5-difluorobenzene - [E47323]

AB17470DS-13345SY0646801-ETHYNYL-3 5-DIFLUOROBENZENE 97E13521-ethynyl-3,5-difluoro-benzeneFT-0646925A18231

데이터베이스 식별자

CAS: 151361-87-4
PubChem CID: 4206806
DTXSID: DTXSID40400843
EC Number: 626-084-4
Nikkaji: J1.439.967D

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 146

물리화학적 성질

끓는 점: 123 · 123-124 °C (lit.)
밀도: 1.163 g/mL · 1.163 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.4910(lit.)
인화점: 78 °F · 78 °F
저장 조건: 2 · 2-8°C
물리적 상태: 액체
색상: Colorless to Light orange to Yellow
InChI: InChI=1S/C8H4F2/c1-2-6-3-7(9)5-8(10)4-6/h1,3-5H
InChIKey: OTDGZDMGSFBZLI-UHFFFAOYSA-N
SMILES: C1(C#C)=CC(F)=CC(F)=C1

화학적 성질

light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 41 reports by companies from 4 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.