2-플루오로-4-히드록시벤즈알데히드

2-Fluoro-4-hydroxybenzaldehyde

HCID 587246CAS 348-27-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=Cc1ccc(O)cc1F
InChIKey: ONRPXRPUBXXCCM-UHFFFAOYSA-N
분자식: C7H5FO2
평균 분자량: 140.11 g/mol
단동위원소 질량: 140.02735762

이름 및 식별자

우선 이름: 2-Fluoro-4-hydroxybenzaldehyde
IUPAC: 2-fluoro-4-hydroxybenzaldehyde
현지명: 2-플루오로-4-히드록시벤즈알데히드
영어명: 2-Fluoro-4-hydroxybenzaldehyde
분자식: C7H5FO2
분자량: 140.11

이름 및 동의어

2-Fluoro-4-hydroxybenzaldehyde348-27-6DTXSID30343078RefChem:87074DTXCID90294158642-692-2MFCD067979182-Fluoro-4-hydroxy-benzaldehydeBenzaldehyde, 2-fluoro-4-hydroxy-2-Fluoro-4-hydroxybenzaldehyde #CS-W007665PS-9051

이름 더 보기

2-플루오로-4-히드록시벤즈알데히드3-Fluoro-4-formylphenol2-Fluoro-6-nitroacetophenone2-FLURO-4-HYDROXYBENZALDEHYDE2-Fluoro-4-hydroxybenzaldehyde,98%

SY030021EN300-111550Z1201623850A6112FT-0601375SCHEMBL1890184-Hydroxy-2-fluorobenzaldehydeSCHEMBL3810952

데이터베이스 식별자

CAS: 348-27-6
PubChem CID: 587246
DTXSID: DTXSID30343078
ChEMBL: CHEMBL1650249
EC Number: 642-692-2
Nikkaji: J2.186.506K

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 127

물리화학적 성질

녹는점: 168 · 168-170°C
끓는 점: 254.2 · 254.2±20.0 °C(Predicted)
밀도: 1.35 · 1.350±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: 결정성 분말
산도 계수 (pKa): 6.78 · 6.78±0.18(Predicted)
색상: 베이지색
InChI: InChI=1S/C7H5FO2/c8-7-3-6(10)2-1-5(7)4-9/h1-4,10H
InChIKey: ONRPXRPUBXXCCM-UHFFFAOYSA-N
SMILES: C(=O)C1=CC=C(O)C=C1F

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 37 reports by companies from 6 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

HS 번호: 2912490090
risk_code: 22-37/38-41-52
hazard_code: Xi,Xn
safety_code: 26-39
위험 참고 사항: Irritant

화학 및 산업

응용 분야 · 2건

용도2-Fluoro-4-hydroxybenzaldehyde is a useful reagent for preparation of 3,4-ring fused 7-azaindoles and deazapurines as potent JAK2 inhibitors.

용도2-Fluoro-4-hydroxybenzaldehyde is mainly used as an intermediate for physiologically active compounds such as pharmaceuticals or pesticides and is a wide range of organic building blocks. Its structure contains fluorine, aldehyde groups, and phenolic hydroxyl groups, and these groups can add or replace other functional groups.