2',5'-Dimethoxyacetophenone

HCID 70991
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기본 정보

CAS
1201-38-3
표준 SMILES
COc1ccc(OC)c(C(C)=O)c1
InChIKey
FAXUIYJKGGUCBO-UHFFFAOYSA-N
분자식
C10H12O3
평균 분자량
180.2 g/mol
단동위원소 질량
180.07864424

이름 및 식별자

우선 이름
2',5'-Dimethoxyacetophenone
IUPAC
1-(2,5-dimethoxyphenyl)ethanone
영어명
2',5'-Dimethoxyacetophenone
분자식
C10H12O3
분자량
180.2

이름 및 동의어

2',5'-Dimethoxyacetophenone1201-38-31-(2,5-Dimethoxyphenyl)ethanoneEthanone, 1-(2,5-dimethoxyphenyl)-Acetophenone, 2',5'-dimethoxy-Y79C66POM1EINECS 214-858-0NSC 62094NSC-62094DTXSID0061618METHYL 2,5-DIMETHOXYPHENYL KETONERefChem:439469
이름 더 보기
AKOS BBS-000043262',5'-DimethoxyacetoMethoxamine Impurity 192'5'-Dimethoxyacetopheone2,5-DIMETHOXYACETOPHENONEN2,5-Dimethoxy acetonphenoneMethoxamine Impurity 8 HCl
DTXCID3033561Acetophenone, 2',5'-dimethoxy-(8CI)214-858-02,5-Dimethoxyacetophenone1-(2,5-dimethoxyphenyl)ethan-1-oneMFCD000087281-acetyl-2,5-dimethoxybenzene2-Acetyl-1,4-dimethoxybenzene

데이터베이스 식별자

CAS
1201-38-3
PubChem CID
70991
DTXSID
DTXSID0061618
UNII
Y79C66POM1
EC Number
214-858-0
Nikkaji
J80.091K

물성

구조 계산 물성

XLogP
1.8
극성 표면적
35.5 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
3
무거운 원자 수
13

실험 및 물리화학적 성질

Kovats Retention Index1514.6

물리화학적 성질

녹는점
18 · 18-20 °C(lit.)
끓는 점
155 · 155-158 °C11 mm Hg(lit.)
밀도
1.139 g/mL · 1.139 g/mL at 25 °C(lit.)
굴절률
20 · n20/D 1.5441(lit.)
인화점
230 °F · >230 °F
저장 조건
Sealed in dry,Room Temperature

화학적 성질

clear yellow to green-yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H412 (66.7%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 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

Regulatory InformationStatus: Active Update: 15-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33194
Hazard Classes and CategoriesAcute Tox. 4 (66.7%)；Skin Irrit. 2 (33.3%)；Eye Irrit. 2 (100%)；STOT SE 3 (33.3%)；Aquatic Chronic 3 (66.7%)

규제 정보

Regulatory InformationStatus: Active Update: 15-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33194

안전 데이터

wgk
3
tsca
TSCA listed
HS 번호
29145090
hazard_code
Xi
safety_code
24/25
위험 등급
IRRITANT

화학 및 산업

용도 및 제조

General Manufacturing InformationEthanone, 1-(2,5-dimethoxyphenyl)-: INACTIVE
응용 분야 · 1건

용도2',5'-Dimethoxyacetophenone is a useful building block which has been used in the preparation of pyridine and thieno[2,3-b] pyridine derivatives as anticancer PIM-1 kinase inhibitors, and in the synthesis of anti-cancer and apoptosis-inducing agents.

제조 방법

2',5'-Dimethoxyacetophenone is obtained by reaction of dimethyl sulfate with quinacetophenone in the presence of 10% aqueous sodium hydroxide.

상·하류 제품 정보

공급사100 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

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