4-Chloro-3-Fluorobenzaldehyde

HCID 2724985CAS 5527-95-7

기본 정보

표준 SMILES: O=Cc1ccc(Cl)c(F)c1
InChIKey: AZMDWRPTDCIFRD-UHFFFAOYSA-N
분자식: C7H4ClFO
평균 분자량: 158.56 g/mol
단동위원소 질량: 157.99347065

이름 및 식별자

우선 이름: 4-Chloro-3-Fluorobenzaldehyde
IUPAC: 4-chloro-3-fluorobenzaldehyde
영어명: 4-Chloro-3-fluorobenzaldehyde
분자식: C7H4ClFO
분자량: 158.56

이름 및 동의어

4-Chloro-3-Fluorobenzaldehyde5527-95-7AZMDWRPTDCIFRD-UHFFFAOYSA-DTXSID50369316RefChem:98424DTXCID60320352627-398-4AZMDWRPTDCIFRD-UHFFFAOYSA-NInChI=1/C7H4ClFO/c8-6-2-1-5(4-10)3-7(6)9/h1-4H3-fluoro-4-chlorobenzaldehydeMFCD00143288SCHEMBL190947

이름 더 보기

NORF-001TIMTEC-BB SBB003986Fluoro-4-chlorobenzaldehyde3-Bromo-8-fluoroacetophenone4-Chloro-3-fluorobenzaldehyde98%4-Chloro-3-fluorobenzaldehyde >4-Chloro-3-fluorobenzaldehyde 98%

4-chloro-3-fluoro benzaldehydeCL83434-Chloro-3-Fluorobenzaldehyde, 97%SB40544F0001-1449Z838969200Benzaldehyde, 4-chloro-3-fluoro-4-chloro-3-fluoro-benzaldehyde

데이터베이스 식별자

CAS: 5527-95-7
PubChem CID: 2724985
DTXSID: DTXSID50369316
EC Number: 627-398-4
Nikkaji: J1.424.732G

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 129

물리화학적 성질

녹는점: 46 · 46-49 °C (lit.)
끓는 점: 201.5 °C · 201.5°C (rough estimate)
밀도: 1.331 · 1.3310 (estimate)
인화점: 206 °F · 206 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: 고체
색상: 흰색에서 노란색으로
수용성: 불용성
InChI: InChI=1S/C7H4ClFO/c8-6-2-1-5(4-10)3-7(6)9/h1-4H
InChIKey: AZMDWRPTDCIFRD-UHFFFAOYSA-N
SMILES: C(=O)C1=CC=C(Cl)C(F)=C1

화학적 성질

white to light yellow crystal powder

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 48 reports by companies from 7 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: 29124990
risk_code: 36/37/38-22-23/24/25
hazard_code: Xi,Xn,T
safety_code: 26-36-36/37/39-45
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도4-Chloro-3-fluorobenzaldehyde is an organic intermediate that can be prepared from 4-chloro-3-fluoroiodobenzene in one step. It has been reported in the literature that it can be used to prepare piperidine derivatives.