3-Chloro-2-fluorobenzaldehyde

HCID 736335CAS 85070-48-0

기본 정보

표준 SMILES: O=Cc1cccc(Cl)c1F
InChIKey: YAOZCMANASAVFN-UHFFFAOYSA-N
분자식: C7H4ClFO
평균 분자량: 158.56 g/mol
단동위원소 질량: 157.99347065

이름 및 식별자

우선 이름: 3-Chloro-2-fluorobenzaldehyde
IUPAC: 3-chloro-2-fluorobenzaldehyde
영어명: 3-Chloro-2-fluorobenzaldehyde
분자식: C7H4ClFO
분자량: 158.56

이름 및 동의어

3-Chloro-2-fluorobenzaldehyde85070-48-0DTXSID80352998YAOZCMANASAVFN-UHFFFAOYSA-RefChem:93395DTXCID70304062617-667-4InChI=1/C7H4ClFO/c8-6-3-1-2-5(4-10)7(6)9/h1-4H2-Fluoro-3-chlorobenzaldehydeMFCD01631571Benzaldehyde, 3-chloro-2-fluoro-2-fluoro(chloro)benzaldehyde

이름 더 보기

TIMTEC-BB SBB0039873-Chloro-2-fluorobenzaldehvd3-Chloro-2-FlourobenzaldehydeBenzaldehyde,3-chloro-2-fluoro-3-Chloro-2-fluorobenzaldehyde97%3-Chloro-2-fluorobenzaldehyde >3-Chloro-2-fluorobenzaldehyde 97%13C6]-3-Chloro-2-fluorobenzaldehyde

3-chloro-2-fluoro-benzaldehyde3-chloro-2-fluoro-benzoaldehydeBBL036949AB09379AC-2299BP-13336SY0149502-fluoro-3-chloro-benzaldehyde

데이터베이스 식별자

CAS: 85070-48-0
PubChem CID: 736335
DTXSID: DTXSID80352998
EC Number: 617-667-4
Nikkaji: J2.327.183D

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

끓는 점: 214 °C · 214 °C (lit.)
밀도: 1.35 g/mL · 1.35 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.545(lit.)
인화점: 186 °F · 186 °F
저장 조건: 2 · Inert atmosphere,2-8°C
물리적 상태: 투명한 액체
색상: Light orange to Yellow to Green
BRN: 5861249 · 5861249
InChI: InChI=1S/C7H4ClFO/c8-6-3-1-2-5(4-10)7(6)9/h1-4H
InChIKey: YAOZCMANASAVFN-UHFFFAOYSA-N
SMILES: C(=O)C1=CC=CC(Cl)=C1F

화학적 성질

lightyellowliqui

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 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: 36/37/38-20/21/22
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

용도3-Chloro-2-fluorobenzaldehyde is an intermediate used to synthesize small-molecule inhibitors of MDM2-p53 interaction as antitumor agents. It is also used to prepare flavonoid derivatives as selective neuromedin U 2 receptor agonists for obesity treatment.

일반 설명3-Chloro-2-fluorobenzaldehyde is a fluorinated benzaldehyde derivative.