2-클로로-2,2-디플루오로아세토페논

2-Chloro-2,2-difluoroacetophenone

HCID 238296CAS 384-67-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(c1ccccc1)C(F)(F)Cl
InChIKey: MNOONJNILVDLSW-UHFFFAOYSA-N
분자식: C8H5ClF2O
평균 분자량: 190.57 g/mol
단동위원소 질량: 189.9996989

개요

structure in first source

이름 및 식별자

우선 이름: 2-Chloro-2,2-difluoroacetophenone
IUPAC: 2-chloro-2,2-difluoro-1-phenylethanone
현지명: 2-클로로-2,2-디플루오로아세토페논
영어명: 2-Chloro-2,2-difluoroacetophenone
분자식: C8H5ClF2O
분자량: 190.57

이름 및 동의어

384-67-82-Chloro-2,2-difluoroacetophenoneDTXSID20285675RefChem:468544DTXCID40236826621-031-12-chloro-2,2-difluoro-1-phenylethanone2,2,2-ChlorodifluoroacetophenoneCHLORODIFLUOROACETOPHENONE2-chloro-2,2-difluoro-1-phenylethan-1-oneMFCD00042123Ethanone, 2-chloro-2,2-difluoro-1-phenyl-

이름 더 보기

2-클로로-2,2-디플루오로아세토페논2-Chloro-2,2-dChlorodifluorobenzophenoneà,à-difluorophenacyl chlorideà-chloro-à,à-difluoroacetopheneα,α-Difluoro-α-chloroacetophenone

ChlorodifluoroMethyl phenyl ketoneNSC42611ChlorodifluroacetophenoneSCHEMBL855642a-Chloro-a,a-difluoroacetophenone2-Chloro-2,2,difluoroacetophenoneCL8637NSC-42611

데이터베이스 식별자

CAS: 384-67-8
PubChem CID: 238296
DTXSID: DTXSID20285675
EC Number: 621-031-1
Nikkaji: J264.262J

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 176

물리화학적 성질

녹는점: 102 · 102-103 °C
끓는 점: 94 · 94-96 °C35 mm Hg(lit.)
밀도: 1.293 g/mL · 1.293 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.497(lit.)
인화점: 163 °F · 163 °F
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 혼합하기가 어렵습니다.
물리적 상태: 액체
색상: Clear, colourless
BRN: 2251448 · 2251448
InChI: 1S/C8H5ClF2O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h1-5H
InChIKey: MNOONJNILVDLSW-UHFFFAOYSA-N
SMILES: FC(F)(Cl)C(=O)c1ccccc1

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 45 reports by companies from 4 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
ridadr: UN 3334
HS 번호: 29147000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37
F 고인화성물질: 19
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 3건

개요Novel and non-ODS-based (ODS = ozone-depleting substance) difluorocarbene reagents for O- and N-difluoromethylation. PhCOCF2Cl reacts with a variety of structurally diverse phenol derivatives to produce aryl difluoromethyl ethers in good yields. PhSO2CF2Cl can react with a variety of structurally diverse phenol derivatives and N-heterocyclic compounds.

용도2-Chloro-2,2-difluoroacetophenone can be used:As a reagent in the difluoromethylation of various phenols to yield aryl difluoromethyl ethers.As a precursor in the Baylis-Hillman reaction of fluoroalkyl ketones to obtain chlorodifluoromethyl containing products.As a substrate in the synthesis of propargyl alcohols using a novel ruthenium catalyst.

일반 설명2-Chloro-2,2-difluoroacetophenone is a difluorocarbene reagent, which is generally used in the synthesis of 2,2-difluoro enol silyl ethers, and gem-difluoromethene derived compounds.