4-Chloro-2-fluoro-1-nitrobenzene (HCID 69691)

이름 및 식별자

우선 이름: 4-Chloro-2-fluoro-1-nitrobenzene
IUPAC: 4-chloro-2-fluoro-1-nitrobenzene
영어명: 4-Chloro-2-fluoronitrobenzene
분자식: C6H3ClFNO2
분자량: 175.54

이름 및 동의어

4-Chloro-2-fluoro-1-nitrobenzene700-37-8EINECS 211-842-5PTCPUGKKWNMITF-UHFFFAOYSA-DTXSID40220260RefChem:521046DTXCID40142751211-842-5InChI=1/C6H3ClFNO2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H4-Chloro-2-fluoronitrobenzene4-chloro-2-fluoro-1-nitro-benzeneMFCD00042211

이름 더 보기

Chlorofluoronitrobenzene2-fluoro-4-chloroitrobenzene4-Chloro-5-fluoronitrobenzene4-Chlor-2-fluor-1-nitrobenzol4-Chloro-2-fluoronitrobenzenen4-Choro-2-fluoro-1-nitrobenzene

Benzene, 4-chloro-2-fluoro-1-nitro-SCHEMBL293484-chloro-2-fluoro-1-nitro benzeneAC-9689SY0131314-Chloro-2-fluoro-1-nitrobenzene, AldrichCPR2-FLUORO-4-CHLORONITROBENZENE1-chloro-3-fluoro-4-nitrobenzene

데이터베이스 식별자

CAS: 700-37-8
PubChem CID: 69691
DTXSID: DTXSID40220260
EC Number: 211-842-5
Nikkaji: J193.060E

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 45.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 161

물리화학적 성질

녹는점: 48 °C · 48°C
끓는 점: 241.8 · 241.8±20.0 °C(Predicted)
밀도: 1.494 · 1.494±0.06 g/cm3(Predicted)
인화점: 110 ℃ · >110℃
저장 조건: Sealed in dry,Room Temperature
물리적 상태: powder to crystal
색상: White to Light yellow to Green
InChI: InChI=1S/C6H3ClFNO2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H
InChIKey: PTCPUGKKWNMITF-UHFFFAOYSA-N
SMILES: C1([N+]([O-])=O)=CC=C(Cl)C=C1F

화학적 성질

Pale yellow solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302+H312+H332 (20%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+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 5 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 (60%)

안전 데이터

wgk: WGK 3
HS 번호: 29042090
risk_code: 20/21/22-36/37/38-22
hazard_code: Xi,Xn
safety_code: 26-36/37/39-37
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

개요4-chloro-2-fluoronitrobenzene is a vital farming intermediate approximately, such as synthetic low toxicity, broad spectrum, ultra-high efficiency weedicide fluthiacetmethyl. The existing synthetic method has a great majority of 2, and 4-dichloronitrobenzene is a starting raw material, so prepare 4-chloro-2-fluoronitrobenzene through the halogen replacement(metathesis)reaction.

용도4-Chloro-2-fluoronitrobenzene serves as a precursor for synthesizing 5-(1H-imidazol-1-yl)-N-methyl-2-nitroaniline via sequential reaction with aqueous methylamine and imidazole[3].