3-Chloro-6-hydroxyacetophenone (HCID 74061)

이름 및 식별자

우선 이름: 3-Chloro-6-hydroxyacetophenone
IUPAC: 1-(5-chloro-2-hydroxyphenyl)ethanone
영어명: 1-(5-Chloro-2-hydroxyphenyl)ethanone
분자식: C8H7ClO2
분자량: 170.59

이름 및 동의어

1450-74-45'-Chloro-2'-hydroxyacetophenone1-(5-Chloro-2-hydroxyphenyl)ethan-1-oneETHANONE, 1-(5-CHLORO-2-HYDROXYPHENYL)-2-Acetyl-4-chlorophenolUY5U246MAZ3-Chloro-6-hydroxyacetophenoneEINECS 215-916-8NSC-46622DTXSID90162863NSC 46622RefChem:500291

이름 더 보기

1-(3-chlorophenyl)-2-hydroxyethan-1-oneAKOS BB-6937ASISCHEM D38764SALOR-INT L497495-1EAoro-2'-hydroxyacetophenone2'-hydroxy-5'-chlorophenone

DTXCID7085354215-916-8InChI=1/C8H7ClO2/c1-5(10)7-4-6(9)2-3-8(7)11/h2-4,11H,1H1-(5-Chloro-2-hydroxyphenyl)ethanone5-Chloro-2-hydroxyacetophenoneMFCD00067788Acetophenone, 5'-chloro-2'-hydroxy-1-(5-chloro-2-hydroxy-phenyl)ethanone

데이터베이스 식별자

CAS: 1450-74-4
PubChem CID: 74061
DTXSID: DTXSID90162863
ChEMBL: CHEMBL4556310
UNII: UY5U246MAZ
EC Number: 215-916-8
Nikkaji: J102.344F

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 158

실험 및 물리화학적 성질

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

물리화학적 성질

녹는점: 54 · 54-56 °C(lit.)
끓는 점: 126 · 126-128 °C28 mm Hg(lit.)
밀도: 1.2315 · 1.2315 (rough estimate)
굴절률: 1.559 · 1.5590 (estimate)
인화점: 107 · 107-109°C/12mm
저장 조건: Sealed in dry,Room Temperature
물리적 상태: Solid
산도 계수 (pKa): 9.72 · 9.72±0.18(Predicted)
BRN: 1365589 · 1365589
InChI: InChI=1S/C8H7ClO2/c1-5(10)7-4-6(9)2-3-8(7)11/h2-4,11H,1H3
InChIKey: XTGCUDZCCIRWHL-UHFFFAOYSA-N
SMILES: C(=O)(C1=CC(Cl)=CC=C1O)C
NIST: 1 · Ethanone, 1-(5-chloro-2-hydroxyphenyl)-(1450-74-4)

화학적 성질

slightly yellow crystalline powder or chunks

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 44 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
HS 번호: 29147000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37/39
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도5′-Chloro-2′-hydroxyacetophenone (5-chloro-2- hydroxyacetophenone) may be used in the synthesis of:6-chloro-2-methyl-4H-chrome-4-one1-(2-hydroxyphenyl)-5-phenyl-2,4-pentadien-1-ones1-(2-hydroxyphenyl)-5-phenyl-2,4-pentadien-1-ones2-styrenyl allyl ether

일반 설명5′-Chloro-2′-hydroxyacetophenone (5-chloro-2- hydroxyacetophenone) on condensation with salicylhydrazide yields Schiff base, which is reported to form copper(II) complexes. Dipole moment of 5-chloro-2- hydroxyacetophenone has been evaluated in benzene solution.

제조 방법

Preparation by Fries rearrangement of 4-chlorophenyl acetate with aluminium chloride without solvent between 110° and 200°(90–100% yield).

상·하류 제품 정보

상류 원료

4-클로로페놀아세테이트 Ethanone, 1-[5-chloro-2-(2-propen-1-yloxy)phenyl]-클로로아세토페논(3-)염화알루미늄

하류 제품

3'-Bromo-5'-chloro-2'-hydroxyacetophenone 1,2-벤지속사졸,5-클로로-3-메틸-(5-Chloro-3-methyl-1-benzofuran-2-yl)(4-chlorophenyl)methanone 1-(5-chloro-2-methoxyphenyl)ethan-1-ol (E)-1-(5-chloro-2-hydroxyphenyl)-3-(diMethylaMino)prop-2-en-1-one Spiro[2H-1-benzopyran-2,4'-piperidin]-4(3H)-one, 6-chloro-2-(2-Amino-1,3-thiazol-4-yl)-4-chlorophenol

공급사50 곳

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

上海泰矶林实业有限公司02150630626 17717886015 · [email protected]

环生美森医药技术（山东）有限公司0531-88762217 18301471076 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

연결된 노트

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3-Chloro-6-hydroxyacetophenone

기본 정보