2-Hydroxy-4-(trifluoromethyl)benzaldehyde

HCID 22493901

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 58914-34-4
표준 SMILES: O=Cc1ccc(C(F)(F)F)cc1O
InChIKey: YHYNJGHMBMXAFB-UHFFFAOYSA-N
분자식: C8H5F3O2
평균 분자량: 190.12 g/mol
단동위원소 질량: 190.02416406

이름 및 식별자

우선 이름: 2-Hydroxy-4-(trifluoromethyl)benzaldehyde
IUPAC: 2-hydroxy-4-(trifluoromethyl)benzaldehyde
영어명: 2-Formyl-5-(trifluoromethyl)phenol, 4-Formyl-3-hydroxybenzotrifluoride, 4-(Trifluoromethyl)salicylaldehyde
분자식: C8H5F3O2
분자량: 190.12

이름 및 동의어

2-hydroxy-4-(trifluoromethyl)benzaldehyde58914-34-4DTXSID60626169RefChem:261704DTXCID50576922829-951-7MFCD04039240Benzaldehyde, 2-hydroxy-4-(trifluoromethyl)-2-Formyl-5-(trifluoromethyl)phenol, 4-Formyl-3-hydroxybenzotrifluoride, 4-(Trifluoromethyl)salicylaldehydep-Trifluoromethylsalicylaldehyde4-(Trifluoromethyl)salicylaldehydeSCHEMBL537374

이름 더 보기

2-Hydroxy-4-(trifluoromethyl)4-trifluoromethylsalicaldehyde2-Formyl-5-(trifluoromethyl)phenol4-Formyl-3-hydroxybenzotrifluoride2-Hydroxy-4-(tifluoromethyl)benzaldehyde2-Hydroxy-4-(trifluoromethyl)benzaldehyde97%

4-TrifluoromethylsalicyaldehydeSCHEMBL279085544-(Trifluoromethyl)salicyl AldehydeCL9041AKOS016344391FH63505MB03144DS-11935

데이터베이스 식별자

CAS: 58914-34-4
PubChem CID: 22493901
DTXSID: DTXSID60626169
EC Number: 829-951-7

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 190

물리화학적 성질

끓는 점: 217.8 · 217.8±40.0 °C(Predicted)
밀도: 1.429 · 1.429±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 7.17 · 7.17±0.10(Predicted)
색상: 무색~담황색

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 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 (50%)

안전 데이터

HS 번호: 2912210000

화학 및 산업

응용 분야

용도2-Hydroxy-4-(trifluoromethyl)benzaldehyde (cas# 58914-34-4) is used as a reactant in the preparation of flavone derivatives for the treatment and prophylaxis of hepatitis B virus disease.