1-에틸닐-4-페녹시벤젠

1-Ethynyl-4-phenoxybenzene

HCID 12788024

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 4200-06-0
표준 SMILES: C#Cc1ccc(Oc2ccccc2)cc1
InChIKey: LKMNQDOAPYPSNH-UHFFFAOYSA-N
분자식: C14H10O
평균 분자량: 194.23 g/mol
단동위원소 질량: 194.07316494

이름 및 식별자

우선 이름: 1-Ethynyl-4-phenoxybenzene
IUPAC: 1-ethynyl-4-phenoxybenzene
현지명: 1-에틸닐-4-페녹시벤젠
영어명: 1-Ethynyl-4-phenoxybenzene
분자식: C14H10O
분자량: 194.23

이름 및 동의어

1-Ethynyl-4-phenoxybenzene4200-06-0DTXSID40509865RefChem:230458DTXCID70460672626-025-24'-Phenoxyphenyl acetyleneMFCD038399921-ethynyl-4-phenoxy-benzeneSCHEMBL3090421-Ethynyl-4-phenoxybenzene, 97%AB91834

이름 더 보기

1-에틸닐-4-페녹시벤젠-4-phenoxybenzene(4-Phenyloxyphenyl)ethyne1-Ehynyl-4-phenoxybenzene1-(4-ethynylphenoxy)benzeneBenzene, 1-ethynyl-4-phenoxy-1-Ethynyl-4-phenoxybenzene 97%1-ETHYNYL-4-(METHYLTHIO)-BENZENE1-ethynyl-4-(methylsulfanyl)benzene

EN300-236440F2108-0336SCHEMBL1856740AKOS005208482AS-58867FE142661SY269900DB-012642

데이터베이스 식별자

CAS: 4200-06-0
PubChem CID: 12788024
DTXSID: DTXSID40509865
EC Number: 626-025-2
Nikkaji: J652.817A

물성

구조 계산 물성

XLogP: 3.7
극성 표면적: 9.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 3
무거운 원자 수: 15
형식 전하: 0
복잡도: 223

물리화학적 성질

녹는점: 284 ℃ · 284℃ (decomposition)
끓는 점: 90 · 90-95 °C0.4 mm Hg(lit.)
밀도: 1.074 g/mL · 1.074 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.6060(lit.)
인화점: 230 °F · >230 °F
저장 조건: Store at room temperature
InChI: 1S/C14H10O/c1-2-12-8-10-14(11-9-12)15-13-6-4-3-5-7-13/h1,3-11H
InChIKey: LKMNQDOAPYPSNH-UHFFFAOYSA-N
SMILES: C#Cc1ccc(Oc2ccccc2)cc1

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H317 (97.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H318 (97.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P261, P264+P265, P272, P273, P280, P302+P352, P305+P354+P338, P317, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 2 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.