기본 정보
- CAS
56159-70-7- 표준 SMILES
COc1ccc(C(=O)C(=O)c2ccccc2Cl)cc1OC- InChIKey
ULVSCSFZMZRZHJ-UHFFFAOYSA-N- 분자식
- C16H13ClO4
- 평균 분자량
- 304.72 g/mol
- 단동위원소 질량
- 304.0502366
이름 및 식별자
- 우선 이름
- 1,2-Ethanedione, 1-(2-chlorophenyl)-2-(3,4-dimethoxyphenyl)-
- IUPAC
- 1-(2-chlorophenyl)-2-(3,4-dimethoxyphenyl)ethane-1,2-dione
- 현지명
- 2-클로로-3'4'-DIMETHOXYBENZIL97
- 영어명
- 2-Chloro-3' 4'-dimethoxybenzil 97
- 분자식
- C16H13ClO4
- 분자량
- 304.73
이름 및 동의어
2-Chloro-3',4'-dimethoxybenzil1,2-Ethanedione, 1-(2-chlorophenyl)-2-(3,4-dimethoxyphenyl)-RefChem:412058627-395-856159-70-71-(2-Chlorophenyl)-2-(3,4-dimethoxyphenyl)ethane-1,2-dioneEthanedione, (2-chlorophenyl)(3,4-dimethoxyphenyl)-1-(2-Chlorophenyl)-2-(3,4-dimethoxyphenyl)-1,2-ethanedione2-Chloro-3 inverted exclamation marka,4 inverted exclamation marka-dimethoxybenzilBenzil-based compound, 23CHEMBL191822SCHEMBL1039115
이름 더 보기
2-클로로-3'4'-DIMETHOXYBENZIL973,4-Dimethoxy-2'-chlorobenzil2-CHLORO-3' 4'-DIMETHOXYBENZIL 972-Chloro-3',4'-dimethoxybenzil 97%2-Chloro-3' 4'-dimethoxybenzil 972-Chloro-3′,4′-dimethoxybenzil, CAS 56159-70-7(2-chlorophenyl)(3,4-dimethoxyphenyl)-ethanedion1(-2-Chlorphenyl)-2-(4,3-dimethoxyphenyl)-1,2-ethanedione
DTXSID1069085SCHEMBL31327207BDBM22745ULVSCSFZMZRZHJ-UHFFFAOYSA-NMFCD00037469AKOS0159135972-Chloro-3',4'-dimethoxybenzil, 97%AS-87430
데이터베이스 식별자
- CAS
56159-70-7- PubChem CID
- 92036
- DTXSID
DTXSID1069085- ChEMBL
CHEMBL191822- EC Number
- 627-395-8
- Nikkaji
- J429.309F
물성
구조 계산 물성
- XLogP
- 3.5
- 극성 표면적
- 52.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 384
물리화학적 성질
- 녹는점
- 119 · 119-123 °C(lit.)
- 끓는 점
- 467.8 · 467.8±45.0 °C(Predicted)
- 밀도
- 1.267 · 1.267±0.06 g/cm3(Predicted)
- InChI
- 1S/C16H13ClO4/c1-20-13-8-7-10(9-14(13)21-2)15(18)16(19)11-5-3-4-6-12(11)17/h3-9H,1-2H3
- InChIKey
- ULVSCSFZMZRZHJ-UHFFFAOYSA-N
- SMILES
- COc1ccc(cc1OC)C(=O)C(=O)c2ccccc2Cl
- EPA
- Ethanedione, (2-chlorophenyl)(3,4-dimethoxyphenyl)- (56159-70-7)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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 39 reports by companies from 2 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
- tsca
- TSCA listed
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
General Manufacturing Information1,2-Ethanedione, 1-(2-chlorophenyl)-2-(3,4-dimethoxyphenyl)-: INACTIVE
응용 분야
용도2-Chloro-3′,4′-dimethoxybenzil (2-Chloro-3,4-dimethoxybenzil) may be used in the synthesis of 2-(2-chlorophenyl)-3-(3,4-dimethoxyphenyl)quinoxaline and 3-(2-chlorophenyl)-4-(3,4-dimethoxyphenyl)-2,5-diphenylcyclopenta-2,4-dienone.
일반 설명2-Chloro-3′,4′-dimethoxybenzil (CDMB, o-chlorobenzveratroin) is a specific inhibitor of human carboxylesterase-2 (hCE-2).
공급사24 곳
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
江苏普乐司生物科技有限公司0513-66017706 18551496367 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
南通合润生物科技有限公司18362409333 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
天津荣燊化工有限公司18317763565; 18317763565 · [email protected]
广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
南通市苏北化工原料有限公司0513-85290972 18762756250 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
盼得（上海）国际贸易有限公司80159919 18662931292 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
Aladdin Scientific[email protected]
武汉吉鑫益邦生物科技有限公司59768661 13297943853 · [email protected]
江苏润丰合成科技有限公司0513-66017678 18551497631 · [email protected]
江苏雷恩环保科技有限公司66814573 16651336298 · [email protected]
南通润丰石油化工有限公司66814565 18912298907 · [email protected]
南通众合化工新材料有限公司0513-85666561 15950816326 · [email protected]
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