2-HYDROXY-5-(TRIFLUOROMETHOXY)벤잘데하이드

2-Hydroxy-5-(trifluoromethoxy)benzaldehyde

HCID 1268058

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 93249-62-8
표준 SMILES: O=Cc1cc(OC(F)(F)F)ccc1O
InChIKey: WQUZBERVMUEJTD-UHFFFAOYSA-N
분자식: C8H5F3O3
평균 분자량: 206.12 g/mol
단동위원소 질량: 206.01907868

이름 및 식별자

우선 이름: 2-Hydroxy-5-(trifluoromethoxy)benzaldehyde
IUPAC: 2-hydroxy-5-(trifluoromethoxy)benzaldehyde
현지명: 2-HYDROXY-5-(TRIFLUOROMETHOXY)벤잘데하이드
영어명: 2-Hydroxy-5-(trifluoromethoxy)benzaldehyde
분자식: C8H5F3O3
분자량: 206.12

이름 및 동의어

2-Hydroxy-5-(trifluoromethoxy)benzaldehyde93249-62-8DTXSID40361440RefChem:261741DTXCID10312489620-932-75-(Trifluoromethoxy)salicylaldehydeMFCD00075249CS-W015351PS-8082SY062251W16712

이름 더 보기

2-HYDROXY-5-(TRIFLUOROMETHOXY)벤잘데하이드BUTTPARK 22\04-615-(Trifloromethoxy)salicylaldehyde2-HYDROXY-5-(TRIFLUOROMETHOXY)BENZALDEHY5-(TrifluoroMethoxy)salicylaldehyde, 98+%20HYDROXY-5-(TRIFLUOROMETHOXY)BENZALDEHYDE2-Hydroxy-5-(trifluoromethoxy)benzaldehyde99%2-Hydroxy-5-(trifluoromethoxy)benzaldehyde 99%

EN300-73768502-Hydroxy-5-(trifluoromethoxy)benzaldehyde, 99%Z1269198918Benzaldehyde, 2-hydroxy-5-(trifluoromethoxy)-AM62568FT-0612552A844486SCHEMBL1211619

데이터베이스 식별자

CAS: 93249-62-8
PubChem CID: 1268058
DTXSID: DTXSID40361440
EC Number: 620-932-7
Nikkaji: J1.843.959J

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 6
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 204

물리화학적 성질

녹는점: 31 · 31-33 °C (lit.)
끓는 점: 82 °C/60 · 82 °C/60 mmHg (lit.)
밀도: 1.4251 · 1.4251 (estimate)
인화점: 230 °F · >230 °F
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): 7.56 · 7.56±0.18(Predicted)
물리적 상태: 저융점 고체
색상: 흰색에서 연한 노란색
BRN: 7023825 · 7023825
InChI: 1S/C8H5F3O3/c9-8(10,11)14-6-1-2-7(13)5(3-6)4-12/h1-4,13H
InChIKey: WQUZBERVMUEJTD-UHFFFAOYSA-N
SMILES: Oc1ccc(OC(F)(F)F)cc1C=O

화학적 성질

White to pale yellow low melting solid

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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29130000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도2-Hydroxy-5-(trifluoromethoxy)benzaldehyde may be used in the preparation of :2-[(E)-2-hydroxy-5-(trifluoromethoxy)benzylideneamino]-4-methylphenol(E)-2-((3-fluorophenylimino)methyl)-4-(trifluoromethoxy) phenol2-[(E)-(naphthalen-2-ylimino) methyl]-4-(trifluoromethoxy) phenol

일반 설명2-Hydroxy-5-(trifluoromethoxy)benzaldehyde is formed as intermediate during the biotransformation pathways of CP-122,721 in humans.