2-Fluoro-5-methoxybenzaldehyde

HCID 2734872CAS 105728-90-3

기본 정보

표준 SMILES: COc1ccc(F)c(C=O)c1
InChIKey: DKIQXHIAEMGZGO-UHFFFAOYSA-N
분자식: C8H7FO2
평균 분자량: 154.14 g/mol
단동위원소 질량: 154.04300768

이름 및 식별자

우선 이름: 2-Fluoro-5-methoxybenzaldehyde
IUPAC: 2-fluoro-5-methoxybenzaldehyde
영어명: 2-Fluoro-5-methoxybenzaldehyde
분자식: C8H7FO2
분자량: 154.14

이름 및 동의어

2-Fluoro-5-methoxybenzaldehyde105728-90-3DTXSID70370545RefChem:87101DTXCID00321580600-676-26-Fluoro-m-anisaldehydeMFCD000707952-fluoro-5-methoxy-benzaldehydeSCHEMBL3871862-fluoro-5-(methyloxy)benzaldehydeCL8283

이름 더 보기

uoro-5-methoxybenzaLFluoro-5-Methoxybenzaldeh6-Fluoro-m-anisaldehyde>2-FLUORO-5ETHOXYBENZALDEHYDE1-tert-butoxycarb-3-pyrrolidoneBenzaldehyde,2-fluoro-5-methoxy-2-Fluoro-5-methoxybenzaldehyde98%2-Fluoro-5-methoxybenzaldehyde 98%

AC-3839DS-12023Z1203161971Benzaldehyde, 2-fluoro-5-methoxy-2-Fluoro-5-methoxy benzaldehydeAM612742-Fluoro-5-methoxy benzaldSCHEMBL6212996

데이터베이스 식별자

CAS: 105728-90-3
PubChem CID: 2734872
DTXSID: DTXSID70370545
EC Number: 600-676-2
Nikkaji: J1.641.193K

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 138

물리화학적 성질

녹는점: 48 · 48-50 °C
끓는 점: 229 · 229-230 °C (lit.)
밀도: 1.237 g/mL · 1.237 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.532(lit.)
인화점: 226 °F · 226 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: powder to lump to clear liquid
색상: White or Colorless to Yellow
수용성: 물에 약간 용해됩니다.
BRN: 4379088 · 4379088
InChI: InChI=1S/C8H7FO2/c1-11-7-2-3-8(9)6(4-7)5-10/h2-5H,1H3
InChIKey: DKIQXHIAEMGZGO-UHFFFAOYSA-N
SMILES: C(=O)C1=CC(OC)=CC=C1F

화학적 성질

clear yellow liquid

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 50 reports by companies from 8 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: 36/37/38-22
hazard_code: Xi,Xn
safety_code: 26-36-37/39
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 2건

용도2-Fluoro-5-methoxybenzaldehyde may be used in the synthesis of:5,10,15,20-tetrakis(2-fluoro-5-methoxyphenyl)porphyrinaryl(2-fluoro-5-methoxyphenyl)methanones5′-methoxy-4-nitro-2,2′,5-trifluorobenzophenone2-(2-fluoro-5-methoxybenzylidene)-1-(5-bromo-2-morpholinopyrimidin-4-yl) hydrazine

일반 설명2-Fluoro-5-methoxybenzaldehyde can be prepared starting from 2-amino-5-methoxytoluene.