2,3,4,5-Tetrafluoronitrobenzene

HCID 79691CAS 5580-79-0

기본 정보

표준 SMILES: O=[N+]([O-])c1cc(F)c(F)c(F)c1F
InChIKey: MKMDVNZEIQDZEP-UHFFFAOYSA-N
분자식: C6HF4NO2
평균 분자량: 195.07 g/mol
단동위원소 질량: 194.99434115

이름 및 식별자

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

이름 및 동의어

2,3,4,5-Tetrafluoronitrobenzene5580-79-01,2,3,4-Tetrafluoro-5-nitrobenzene3N9SSF4I6QNSC-96618DTXSID20204386EINECS 226-972-85-Nitro-1,2,3,4-tetrafluorobenzeneUNII-3N9SSF4I6QBenzene, 1,2,3,4-tetrafluoro-5-nitro-NSC 96618RefChem:81251

이름 더 보기

2,3,4,5-TetrafLCiprofol Impurity 92,3,4,5-Tetrafluoron4-fluro-3-nitrobenzoic acid1-NITRO-2,3,4,5-TETRAFLUOROBENZENE

DTXCID20126877226-972-8MKMDVNZEIQDZEP-UHFFFAOYSA-NMFCD00014686NSC966182,3,4,5-tetrafluoro-1-nitrobenzeneCS-W010631AC-9722

데이터베이스 식별자

CAS: 5580-79-0
PubChem CID: 79691
DTXSID: DTXSID20204386
UNII: 3N9SSF4I6Q
EC Number: 226-972-8
Nikkaji: J225.035G

물성

구조 계산 물성

XLogP: 2.2
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

끓는 점: 80 °C/24 · 80 °C/24 mmHg (lit.)
밀도: 1.618 g/mL · 1.618 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.473(lit.)
인화점: 178 °F · 178 °F
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름에 용해됨
물리적 상태: 기름
Specific Gravity: 1.618 · 1.618
색상: 맑은 연한 노란색
InChI: 1S/C6HF4NO2/c7-2-1-3(11(12)13)5(9)6(10)4(2)8/h1H
InChIKey: MKMDVNZEIQDZEP-UHFFFAOYSA-N
SMILES: [O-][N+](=O)c1cc(F)c(F)c(F)c1F

화학적 성질

clear 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 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 CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29049090
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

용도2,3,4,5-Tetrafluoronitrobenzene (cas# 5580-79-0) is a compound useful in organic synthesis.

일반 설명2,3,4,5-Tetrafluoronitrobenzene is a polyfluoroarene. Mercuration of 2,3,4,5-tetrafluoronitrobenzene has been reported. It reacts with thioureas to afford para substituted diaryl sulphides. The nucleophilic aromatic substitution reactions of 2,3,4,5-tetrafluoronitrobenzene with methanol has been reported.