1,2-Dichloro-4-fluoro-5-nitrobenzene

HCID 533951CAS 2339-78-8

기본 정보

표준 SMILES: O=[N+]([O-])c1cc(Cl)c(Cl)cc1F
InChIKey: FXOCDIKCKFOUDE-UHFFFAOYSA-N
분자식: C6H2Cl2FNO2
평균 분자량: 209.99 g/mol
단동위원소 질량: 208.94466188

이름 및 식별자

우선 이름: 1,2-Dichloro-4-fluoro-5-nitrobenzene
IUPAC: 1,2-dichloro-4-fluoro-5-nitrobenzene
영어명: 1,2-Dichloro-4-fluoro-5-nitrobenzene
분자식: C6H2Cl2FNO2
분자량: 209.99

이름 및 동의어

1,2-Dichloro-4-fluoro-5-nitrobenzene2339-78-8DTXSID90336466RefChem:71854DTXCID40287555607-228-5FXOCDIKCKFOUDE-UHFFFAOYSA-N4,5-Dichloro-2-fluoronitrobenzeneBenzene, 1,2-dichloro-4-fluoro-5-nitro-MFCD000753304,5-dichloro-2-fluoro-1-nitrobenzeneSCHEMBL123793

이름 더 보기

BUTTPARK 89\07-58uoro-5-nitrobenzene1,2-DICHLORO-4-FLUOR3,4-Dichloro-2-fluoro-1-nitrobenzene4,5-Dichloro-2-fluoronitrobenzene95%4,5-Dichloro-2-fluoronitrobenzene 95%1,2-Dichloro-4-fluoro-5-nitorobenzene

SCHEMBL29580289SBB063959AKOS015850065AC-9707CS-W0151301,2-dichloro-4-fluoro-5-nitro-benzeneDS-14272SY014946

데이터베이스 식별자

CAS: 2339-78-8
PubChem CID: 533951
DTXSID: DTXSID90336466
EC Number: 607-228-5
Nikkaji: J1.491.523K

물성

구조 계산 물성

XLogP: 3
극성 표면적: 45.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 187

물리화학적 성질

녹는점: 17 °C · 17 °C (lit.)
끓는 점: 247 °C · 247 °C (lit.)
밀도: 1.596 g/mL · 1.596 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.575(lit.)
인화점: 230 °F · >230 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 저융점 고체
색상: 옅은 노랑
InChI: 1S/C6H2Cl2FNO2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2H
InChIKey: FXOCDIKCKFOUDE-UHFFFAOYSA-N
SMILES: [O-][N+](=O)c1cc(Cl)c(Cl)cc1F

화학적 성질

Off-White powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 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 CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 3
HS 번호: 2904990090
risk_code: 20/21/22-36/37/38
hazard_code: Xn,Xi
safety_code: 26-37/39
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도1,2-Dichloro-4-fluoro-5-nitrobenzene may be used in the combinatorial solid-phase synthesis of bis-heterocyclic compounds. It was employed as solute to investigate the possibility of selective excitation in coupled multispin systems.

일반 설명Proton-detected local field (PDLF) spectra of 1,2-dichloro-4-fluoro-5-nitrobenzene in nematic solvents has been studied.