2,3,4,5-테트라플루오로벤조일클로라이드

2,3,4,5-Tetrafluorobenzoyl chloride

HCID 2733689

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 94695-48-4
표준 SMILES: O=C(Cl)c1cc(F)c(F)c(F)c1F
InChIKey: XWCKIXLTBNGIHV-UHFFFAOYSA-N
분자식: C7HClF4O
평균 분자량: 212.53 g/mol
단동위원소 질량: 211.96520521

이름 및 식별자

우선 이름: 2,3,4,5-Tetrafluorobenzoyl chloride
IUPAC: 2,3,4,5-tetrafluorobenzoyl chloride
현지명: 2,3,4,5-테트라플루오로벤조일클로라이드
영어명: 2,3,4,5-Tetrafluorobenzoyl chloride
분자식: C7HClF4O
분자량: 212.53

이름 및 동의어

2,3,4,5-Tetrafluorobenzoyl chloride94695-48-4DTXSID30369975EC 619-058-9RefChem:81250DTXCID10321011619-058-92,3,4,5-tetrafluorobenzoylchlorideC7HClF4OBenzoyl chloride, 2,3,4,5-tetrafluoro-tetrafluorobenzoyl chlorideMFCD00075164

이름 더 보기

2,3,4,5-테트라플루오로벤조일클로라이드SKL1307Moxifloxacin Impurity 862,3,4,5-Tetrafluorobenzoyl2,3,4,5-TETRAFLUORBENZOYLCHLORID2,3,4,5-TETRAFLUOROBEZOYL CHLORIDE2,3,4,5-Tetrafluorboenzoyl Chloride2,3,4,5-Tetrafluorobenzoylchloride98%

2,3,4,5-tetrafluoro benzoyl chloride2,3,4,5-tetrafluorobenzoic acid chloride2,3,4,5- Tetrafluorobenzoyl chloride2,3,4,5-tetrafluoro-benzoyl chlorideM5RD6UU23USCHEMBL345016orb29394252,3,4,5-tetrafluorobenzoyl chlorde

데이터베이스 식별자

CAS: 94695-48-4
PubChem CID: 2733689
DTXSID: DTXSID30369975
UNII: M5RD6UU23U
EC Number: 619-058-9
Nikkaji: J795.485I

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 213

실험 및 물리화학적 성질

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

물리화학적 성질

끓는 점: 65 · 65-66°C 10mm
밀도: 1.58 g/mL · 1.58 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.4787(lit.)
인화점: 194 °F · 194 °F
물리적 상태: 투명한 액체
색상: 무색~연황색
Specific Gravity: 1.58 · 1.580
BRN: 5266860 · 5266860
InChI: InChI=1S/C7HClF4O/c8-7(13)2-1-3(9)5(11)6(12)4(2)10/h1H
InChIKey: XWCKIXLTBNGIHV-UHFFFAOYSA-N
SMILES: C(Cl)(=O)C1=CC(F)=C(F)C(F)=C1F

화학적 성질

clear colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 2.1% (1 of 47) of reports.

Danger

H314 (97.9%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 5 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory InformationStatus: Active Update: 07-02-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/27789

Hazard Classes and CategoriesSkin Corr. 1B (97.9%)

안전 데이터

wgk: 3
ridadr: UN 3265 8/PG 2
HS 번호: 29163990
risk_code: 34-37-36/37
hazard_code: C
safety_code: 26-36/37/39-45-25
포장분류: II
위험 등급: 8
F 고인화성물질: 10-19-21
위험 참고 사항: Corrosive
Hazard Classifications: Eye Dam. 1Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야

용도2,3,4,5-Tetrafluorobenzoyl chloride was used in the preparation of 4-hydroxy-1-(3-pyridyl)-1-butanone-tetrafluorobenzoate. It was also used in the synthesis of N-[(4-carbamoylphenyl)carbamothioyl]-2,3,4,5-tetrafluorobenzamide.