3',5'-Dichloro-2'-hydroxyacetophenone

HCID 520608CAS 3321-92-4

기본 정보

표준 SMILES: CC(=O)c1cc(Cl)cc(Cl)c1O
InChIKey: CJFYGRLJDKWMDI-UHFFFAOYSA-N
분자식: C8H6Cl2O2
평균 분자량: 205.03 g/mol
단동위원소 질량: 203.9744848

이름 및 식별자

우선 이름: 3',5'-Dichloro-2'-hydroxyacetophenone
IUPAC: 1-(3,5-dichloro-2-hydroxyphenyl)ethanone
영어명: 3',5'-Dichloro-2'-hydroxyacetophenone
분자식: C8H6Cl2O2
분자량: 205.04

이름 및 동의어

3',5'-Dichloro-2'-hydroxyacetophenoneRefChem:484550628-184-33321-92-41-(3,5-dichloro-2-hydroxyphenyl)ethanone1-(3,5-dichloro-2-hydroxyphenyl)ethan-1-one3,5-Dichloro-2-hydroxyacetophenoneMFCD000164172-Acetyl-4,6-dichlorophenol3'5'-dichloro-2'-hydroxyacetophenoneEthanone, 1-(3,5-dichloro-2-hydroxyphenyl)-1-acetyl-3,5-dichloro-2-hydroxybenzene

이름 더 보기

LABOTEST-BB LT004540781-(3,5-Dichloro-2-hydroxyphenyl)3',5'-Dichloro-2'-hyroxyacetophenone2'-Hydroxy-3',5'-dichloroacetophenoneAcetophenone, 3',5'-dichloro-2'-hydroxy-

4,6-Dichloro-2-acetylphenolSCHEMBL659333SCHEMBL6378496SCHEMBL29613154DTXSID30334406STR03381BBL027817SBB057875

데이터베이스 식별자

CAS: 3321-92-4
PubChem CID: 520608
DTXSID: DTXSID30334406
EC Number: 628-184-3
Nikkaji: J1.137.135C

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 184

물리화학적 성질

녹는점: 94 · 94-97 °C(lit.)
끓는 점: 132 · 132-134 °C18 mm Hg(lit.)
밀도: 1.3806 · 1.3806 (rough estimate)
굴절률: 1.549 · 1.5490 (estimate)
인화점: 132 · 132-134°C/18mm
저장 조건: Sealed in dry,Room Temperature
용해도: 아세톤에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): 8.26 · 8.26±0.23(Predicted)
색상: White to Orange to Green
BRN: 1638099 · 1638099
InChI: 1S/C8H6Cl2O2/c1-4(11)6-2-5(9)3-7(10)8(6)12/h2-3,12H,1H3
InChIKey: CJFYGRLJDKWMDI-UHFFFAOYSA-N
SMILES: CC(=O)c1cc(Cl)cc(Cl)c1O

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.8%)

안전 데이터

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

화학 및 산업

제조 방법

Preparation by Fries rearrangement of 2,4-dichlorophenyl acetate with aluminium chloride in tetrachloroethane at 150–160° and without solvent between 115° and 170° (43–75%).

상·하류 제품 정보

하류 제품

(4-Chlorophenyl)(5,7-dichloro-3-methyl-1-benzofuran-2-yl)methanone

공급사50 곳

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]

韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

北京诺德恒信化工技术有限公司010-84929330 13811281791 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

연결된 노트

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