2,4'-디클로로아세토페논

2,4'-Dichloroacetophenone

HCID 70298CAS 937-20-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(CCl)c1ccc(Cl)cc1
InChIKey: FWDFNLVLIXAOMX-UHFFFAOYSA-N
분자식: C8H6Cl2O
평균 분자량: 189.04 g/mol
단동위원소 질량: 187.97957017

이름 및 식별자

우선 이름: 2,4'-Dichloroacetophenone
IUPAC: 2-chloro-1-(4-chlorophenyl)ethanone
현지명: 2,4'-디클로로아세토페논
영어명: 2,4'-Dichloroacetophenone
분자식: C8H6Cl2O
분자량: 189.04

이름 및 동의어

2,4'-Dichloroacetophenone937-20-22-chloro-1-(4-chlorophenyl)ethanone4-Chlorophenacyl chlorideEthanone, 2-chloro-1-(4-chlorophenyl)-p-Chlorophenacyl chlorideZXE9VA3E38.alpha.-Chloro-p-chloroacetophenoneDTXSID50239540EINECS 213-323-9NSC-41669NSC 41669

이름 더 보기

2,4'-디클로로아세토페논2,4-chlorobenzophenoneà,4-dichloroacetophenone2,4'-Dichloroacetopheone4',α-Dichloroacetophenoneα,4'-Dichloroacetophenone4-CHLOROAPHENACYL CHLORIDE4-Chlorophenylacyl chloride2-Chloro-4Chloroacetophenone

CHLOROMETHYL 4-CHLOROPHENYL KETONE1-(4-CHLOROPHENYL)-2-CHLOROETHANONERefChem:442658alpha-Chloro-p-chloroacetophenoneDTXCID00162031213-323-9InChI=1/C8H6Cl2O/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2-chloro-1-(4-chlorophenyl)ethan-1-one

데이터베이스 식별자

CAS: 937-20-2
PubChem CID: 70298
DTXSID: DTXSID50239540
ChEMBL: CHEMBL143090
UNII: ZXE9VA3E38
EC Number: 213-323-9
Nikkaji: J265.443A

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 139

실험 및 물리화학적 성질

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

물리화학적 성질

녹는점: 100 · 100-102 °C(lit.)
끓는 점: 270 °C · 270 °C(lit.)
밀도: 1.2979 · 1.2979 (rough estimate)
굴절률: 1.564 · 1.5640 (estimate)
인화점: 270 °C · 270°C
저장 조건: 2 · Storage temp. 2-8°C
물리적 상태: powder to crystal
색상: 흰색에서 거의 흰색
BRN: 637861 · 637861
InChI: InChI=1S/C8H6Cl2O/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2
InChIKey: FWDFNLVLIXAOMX-UHFFFAOYSA-N
SMILES: C(=O)(C1=CC=C(Cl)C=C1)CCl

화학적 성질

white to off-white crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 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 3335
HS 번호: 29147000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37/39
Hazard Classifications: Aquatic Chronic 3Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도2,4′-Dichloroacetophenone (4-chlorophenacyl chloride) may be used in the synthesis of chiral chlorohydrin by asymmetric reduction., It may be used as an alkylating agent in the Williamson reaction of 7-hydroxycoumarins to form substituted oxoethers.

일반 설명2,4′-Dichloroacetophenone is a substituted α-chloro aromatic ketone.2 Its 35/37Cl WURST-QCPMG NMR spectra has been investigated.