3'-(삼불화합물)아세토펜온

1-(3-(Trifluoromethoxy)phenyl)ethanone

HCID 737161

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 170141-63-6
표준 SMILES: CC(=O)c1cccc(OC(F)(F)F)c1
InChIKey: UYHTUQHYGKAYJM-UHFFFAOYSA-N
분자식: C9H7F3O2
평균 분자량: 204.15 g/mol
단동위원소 질량: 204.03981412

이름 및 식별자

우선 이름: 1-(3-(Trifluoromethoxy)phenyl)ethanone
IUPAC: 1-[3-(trifluoromethoxy)phenyl]ethanone
현지명: 3'-(삼불화합물)아세토펜온
영어명: 3'-(Trifluoromethoxy)acetophenone
분자식: C9H7F3O2
분자량: 204.15

이름 및 동의어

1-(3-(trifluoromethoxy)phenyl)ethanone1-[3-(trifluoromethoxy)phenyl]ethanoneUYHTUQHYGKAYJM-UHFFFAOYSA-RefChem:423205642-823-3InChI=1/C9H7F3O2/c1-6(13)7-3-2-4-8(5-7)14-9(10,11)12/h2-5H,1H33'-(Trifluoromethoxy)acetophenone170141-63-63-(Trifluoromethoxy)acetophenone1-[3-(trifluoromethoxy)phenyl]ethan-1-oneMFCD000424033-trifluoromethoxyacetophenone

이름 더 보기

3'-(삼불화합물)아세토펜온1-(3-TRIFLUOROMETHOXY)ETHANONE3'-(Trifluoromethoxy)acetophenone98%3'-(Trifluoromethoxy)acetophenone 98%3'-(Trifluoromethoxy)acetophenone,97%Ethanone, 1-[3-(trifluoromethoxy)phenyl]-3-ACETYL-ALPHA,ALPHA,ALPHA-TRIFLUOROANISOLE

CK2582AKOS005145734AC-36283 inverted exclamation marka-(Trifluoromethoxy)acetophenone3'-(Trifluoromethoxy)acetophenone, 98%3/'-(TRIFLUOROMETHOXY)ACETOPHENONE1-acetyl-3-(trifluoromethoxy)benzene1-(3-(trifluoromethoxy)phenyl)ethan-1-one

데이터베이스 식별자

CAS: 170141-63-6
PubChem CID: 737161
DTXSID: DTXSID90353178
EC Number: 642-823-3
Nikkaji: J1.388.404H

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 213

물리화학적 성질

끓는 점: 49 · 49-51 °C (13 mmHg)
밀도: 1.285 g/mL · 1.285 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.452(lit.)
인화점: 182 °F · 182 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 투명한 액체
색상: 무색~연황색
Specific Gravity: 1.285 · 1.285
BRN: 6196333 · 6196333
InChI: 1S/C9H7F3O2/c1-6(13)7-3-2-4-8(5-7)14-9(10,11)12/h2-5H,1H3
InChIKey: UYHTUQHYGKAYJM-UHFFFAOYSA-N
SMILES: CC(=O)c1cccc(OC(F)(F)F)c1

화학적 성질

clear yellow liqui

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.