1,2,3,5-Tetrafluoro-4-nitrobenzene

HCID 67566CAS 314-41-0

기본 정보

표준 SMILES: O=[N+]([O-])c1c(F)cc(F)c(F)c1F
InChIKey: FDLCUAUNAWWSBX-UHFFFAOYSA-N
분자식: C6HF4NO2
평균 분자량: 195.07 g/mol
단동위원소 질량: 194.99434115

이름 및 식별자

우선 이름: 1,2,3,5-Tetrafluoro-4-nitrobenzene
IUPAC: 1,2,3,5-tetrafluoro-4-nitrobenzene
영어명: 2,3,4,6-Tetrafluoronitrobenzene
분자식: C6HF4NO2
분자량: 195.07

이름 및 동의어

2,3,4,6-Tetrafluoronitrobenzene1,2,3,5-Tetrafluoro-4-nitrobenzeneBenzene, 1,2,3,5-tetrafluoro-4-nitro-SU82FD6B27EINECS 206-246-7DTXSID30753872,3,4,6-TETRAFLUORO-1-NITROBENZENERefChem:71346DTXCID3038355206-246-7FDLCUAUNAWWSBX-UHFFFAOYSA-N314-41-0

이름 더 보기

2,3,4,6-TetrafL2,3,4,6-TETRAFLUORON5-fluro-2-methylaniline5-tetrafluoro-4-nitrobenzene1,2,4,6-Tetrafluoronitrobenzene2-Nitro-1,3,4,5-tetrafluorobenzene1-Nitro-2,3,4,6-tetrafluorobenzene2,3,4,6-Tetrafluoronitrobenzene98%

MFCD000116871,2,3,5-tetrafluoro-4-nitro-benzeneUNII-SU82FD6B27GS-60771,2,3,5-Tetrafluoro-4-nitrobenzene #SY1039142,3,4,6-Tetrafluoronitrobenzene, >=97%1,3,4,5-tetrafluoro-2-nitrobenzene

데이터베이스 식별자

CAS: 314-41-0
PubChem CID: 67566
DTXSID: DTXSID3075387
UNII: SU82FD6B27
EC Number: 206-246-7
Nikkaji: J193.731F

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 45.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 0
무거운 원자 수: 13
형식 전하: 0
복잡도: 209

물리화학적 성질

녹는점: -5 · -5
끓는 점: 78 · 78-79°C 20mm
밀도: 1.511 g/mL · 1.511 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.464(lit.)
인화점: 160 °F · 160 °F
저장 조건: 2 · 2-8°C
물리적 상태: liquid
Specific Gravity: 1.511 · 1.511
안정성: 안정적인. 강한 산화제, 강한 염기와 호환되지 않습니다. 타기 쉬운.
InChI: 1S/C6HF4NO2/c7-2-1-3(8)6(11(12)13)5(10)4(2)9/h1H
InChIKey: FDLCUAUNAWWSBX-UHFFFAOYSA-N
SMILES: [O-][N+](=O)c1c(F)cc(F)c(F)c1F
EPA: 1 · Benzene, 1,2,3,5-tetrafluoro-4-nitro- (314-41-0)

화학적 성질

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 39 reports by companies from 2 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: 2904990090
risk_code: 36/37/38
hazard_code: Xi
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 · 1건

일반 설명Molluscicidal activity of 2,3,4,6-tetrafluoronitrobenzene against Biomphalaria glabrata has been investigated. Palladium-catalyzed cross-coupling reactions of 2,3,4,6-tetrafluoronitrobenzene with alkyne derivatives has been studied. Reaction of 2,3,4,6-tetrafluoronitrobenzene with 7-methyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene in the presence of water molecules in acetonitrile has been investigated.