4-Fluoro-4'-(phenylethynyl)benzophenone

HCID 4095657CAS 153354-46-2

기본 정보

표준 SMILES: O=C(c1ccc(F)cc1)c1ccc(C#Cc2ccccc2)cc1
InChIKey: SKWWXACONTVUHM-UHFFFAOYSA-N
분자식: C21H13FO
평균 분자량: 300.3 g/mol
단동위원소 질량: 300.09504326

이름 및 식별자

우선 이름: 4-Fluoro-4'-(phenylethynyl)benzophenone
IUPAC: (4-fluorophenyl)-[4-(2-phenylethynyl)phenyl]methanone
영어명: 4-Fluoro-4'-(phenylethynyl)benzophenone&
분자식: C21H13FO
분자량: 300.33

이름 및 동의어

153354-46-24-Fluoro-4'-(phenylethynyl)benzophenoneDTXSID90399258RefChem:523248DTXCID80350116624-285-1(4-Fluorophenyl)(4-(phenylethynyl)phenyl)methanone(4-fluorophenyl)-[4-(2-phenylethynyl)phenyl]methanone4-Fluoro-4/'-(phenylethynyl)benzophenone4-Fluoro-4 inverted exclamation marka-(phenylethynyl)benzophenone(4-fluorophenyl)[4-(phenylethynyl)phenyl]methanoneSCHEMBL1746493

이름 더 보기

4-Fluoro-4'-(phenylethynyl)benzophenone 97%Methanone, (4-fluorophenyl)[4-(2-phenylethynyl)phenyl]-

SKWWXACONTVUHM-UHFFFAOYSA-NMFCD00274292STK3310804-fluoro-4'-phenylethynyibenzophenone4-fluoro-4'-phenylethynylbenzophenone4-phenylethynyl-4'-fluorobenzophenoneAKOS0054387374-Fluoro-4?-(phenylethynyl)benzophenone

데이터베이스 식별자

CAS: 153354-46-2
PubChem CID: 4095657
DTXSID: DTXSID90399258
EC Number: 624-285-1
Nikkaji: J643.110K

물성

구조 계산 물성

XLogP: 5.4
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 4
무거운 원자 수: 23
형식 전하: 0
복잡도: 449

물리화학적 성질

녹는점: 151 · 151-153 °C (lit.)
끓는 점: 457.2 · 457.2±30.0 °C(Predicted)
밀도: 1.23 · 1.23±0.1 g/cm3(Predicted)
저장 조건: Store at room temperature
InChI: 1S/C21H13FO/c22-20-14-12-19(13-15-20)21(23)18-10-8-17(9-11-18)7-6-16-4-2-1-3-5-16/h1-5,8-15H
InChIKey: SKWWXACONTVUHM-UHFFFAOYSA-N
SMILES: Fc1ccc(cc1)C(=O)c2ccc(cc2)C#Cc3ccccc3

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 3
risk_code: 20/21/22
hazard_code: Xn
safety_code: 36
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral
스토리지 클래스: 11 - Combustible Solids