2-Hydroxy-1-[4-(trifluoromethyl)phenyl]ethan-1-one

HCID 11287169

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 89630-28-4
표준 SMILES: O=C(CO)c1ccc(C(F)(F)F)cc1
InChIKey: HVNDDPHQGGNGQI-UHFFFAOYSA-N
분자식: C9H7F3O2
평균 분자량: 204.15 g/mol
단동위원소 질량: 204.03981412

이름 및 식별자

우선 이름: 2-Hydroxy-1-[4-(trifluoromethyl)phenyl]ethan-1-one
IUPAC: 2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethanone
영어명: 2-Hydroxy-4’-(trifluoromethyl)acetophenone
분자식: C9H7F3O2
분자량: 204.15

이름 및 동의어

2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethan-1-one2-hydroxy-1-(4-(trifluoromethyl)phenyl)ethan-1-oneRefChem:473012836-933-289630-28-42-hydroxy-1-(4-(trifluoromethyl)phenyl)ethanoneEthanone, 2-hydroxy-1-[4-(trifluoromethyl)phenyl]-2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethanone2-Hydroxy-4'-(trifluoromethyl)acetophenoneMFCD166164732-HYDROXY-4-(TRIFLUOROMETHYL)ACETOPHENONESCHEMBL1360049

이름 더 보기

DTXSID30461226PDA63028AC7158AKOS0175493902-Hydroxy-4'-trifluoromethylacetophenone2-hydroxy-4'-trifluoromethyl acetophenoneSY130971EN300-192056

데이터베이스 식별자

CAS: 89630-28-4
PubChem CID: 11287169
DTXSID: DTXSID30461226
EC Number: 836-933-2
Nikkaji: J3.225.206K

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 205

물리화학적 성질

끓는 점: 269.1 · 269.1±40.0 °C(Predicted)
밀도: 1.343 · 1.343±0.06 g/cm3(Predicted)
산도 계수 (pKa): 12.53 · 12.53±0.10(Predicted)

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.