Pentafluorobenzaldehyde (HCID 69558)

개요

structure in first source

이름 및 식별자

우선 이름: Pentafluorobenzaldehyde
IUPAC: 2,3,4,5,6-pentafluorobenzaldehyde
영어명: Pentafluorobenzaldehyde
분자식: C7HF5O
분자량: 196.07

이름 및 동의어

Pentafluorobenzaldehyde2,3,4,5,6-Pentafluorobenzaldehyde653-37-2PerfluorobenzaldehydeBenzaldehyde, 2,3,4,5,6-pentafluoro-S9YIE3JZ4KNSC-96967DTXSID4022101RefChem:859800DTXCID802101211-502-6Benzaldehyde, pentafluoro-

이름 더 보기

PENTAFLUORBENZALDEHYDEPentafluorobenzaldehyde>Pentafluorobenzaldehyde 98%Pentafluorobenzaldehyde ,97%Pentafluorobenzaldehyde, 98+%Pentafluorobenzaldehyde,Min.97%

C7HF5OMFCD00003303EINECS 211-502-6QJXCFMJTJYCLFG-UHFFFAOYSA-2,4,5,6-PentafluorobenzaldehydeNSC96967STK400424EN300-20105

데이터베이스 식별자

CAS: 653-37-2
PubChem CID: 69558
DTXSID: DTXSID4022101
UNII: S9YIE3JZ4K
EC Number: 211-502-6
Nikkaji: J205.942H

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 183

물리화학적 성질

녹는점: 24 · 24-28 °C(lit.)
끓는 점: 164 · 164-166 °C(lit.)
밀도: 1.588 g/mL · 1.588 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.45(lit.)
인화점: 172 °F · 172 °F
저장 조건: 2 · Inert atmosphere,2-8°C
물리적 상태: 녹은 후에 액체
Specific Gravity: 1.588 · 1.588
색상: 맑은 노란색
수용성: 물에 거의 녹지 않습니다(25°C에서 0.027g/L).
BRN: 1876550 · 1876550
InChI: InChI=1S/C7HF5O/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h1H
InChIKey: QJXCFMJTJYCLFG-UHFFFAOYSA-N
SMILES: C(=O)C1=C(F)C(F)=C(F)C(F)=C1F

화학적 성질

Freshly distilled pentafluorobenzaldehyde is a colourless liquid with a strong odour; clear yellowish liquid after melting; a lachrymator; soluble in common organic solvents and practically insoluble in water.

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, P317, 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 50 reports by companies from 10 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
rtecs: CU7542000
ridadr: UN 2810 6.1/PG 3
HS 번호: 29130000
risk_code: 20/22-36/37/38-20
hazard_code: Xn,F,Xi
safety_code: 26-37/39
포장분류: III
위험 등급: 6.1
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 4 InhalationEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

응용 분야 · 2건

용도Pentafluorobenzaldehyde was used as derivatization reagent in a study to develop a sensitive method for the determination of primary amines in sewage sludge by headspace solid-phase micro extraction and gas chromatography-tandem mass spectrometry. It was used in the synthesis of novel, high molecular weight fluorinated aromatic polymers.

일반 설명2,3,4,5,6-Pentafluorobenzaldehyde reacts with 5-(aryl)dipyrromethanes to form a variety of meso-aryl [26]hexaphyrins.