기본 정보
- CAS
4546-48-9- 표준 SMILES
COC(=O)c1cc(-c2ccccc2)nc2ccccc12- InChIKey
FDNMMBMNYRTPLC-UHFFFAOYSA-N- 분자식
- C17H13NO2
- 평균 분자량
- 263.29 g/mol
- 단동위원소 질량
- 263.09462866
이름 및 식별자
- 우선 이름
- Methyl 2-phenyl-4-quinolinecarboxylate
- IUPAC
- methyl 2-phenylquinoline-4-carboxylate
- 영어명
- 2-PHENYL-QUINOLINE-4-CARBOXYLIC ACID METHYL ESTER
- 분자식
- C17H13NO2
- 분자량
- 263.29
이름 및 동의어
Methyl 2-phenyl-4-quinolinecarboxylateRefChem:814600628-332-7methyl 2-phenylquinoline-4-carboxylate4546-48-9MFCD000067492-Phenyl-quinoline-4-carboxylic acid methyl ester4-Quinolinecarboxylic acid, 2-phenyl-, methyl esterCinchophen methyl derivativeOprea1_635797SCHEMBL2576382CHEMBL5199775
이름 더 보기
Methyl 2-phenyl-4-quinolinecarboxylate 95%methyl 2-phenylquinoline-4-carboxylatemethyl2-PHENYL-QUINOLINE-4-CARBOXYLIC ACID METHYL ESTER ISO 9001：2015 REACH
DTXSID40346111HMS1589J05BBL009128methyl2-phenylquinoline-4-carboxylateSTK257431AKOS003235836methyl-2-phenyl-4-quinolinecarboxylateSB69673
데이터베이스 식별자
- CAS
4546-48-9- PubChem CID
- 609693
- DTXSID
DTXSID40346111- ChEMBL
CHEMBL5199775- EC Number
- 628-332-7
- Nikkaji
- J1.255.819H
물성
구조 계산 물성
- XLogP
- 3.7
- 극성 표면적
- 39.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 338
물리화학적 성질
- 녹는점
- 60 · 60-62 °C(lit.)
- 끓는 점
- 430.8 · 430.8±33.0 °C(Predicted)
- 밀도
- 1 · 1+-.0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 2.32 · 2.32±0.13(Predicted)
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]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): 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 40 reports by companies from 3 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 (100%)
안전 데이터
- wgk
- 3
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37/39
화학 및 산업
상·하류 제품 정보
하류 제품
공급사21 곳
湖北万得化工有限公司15377098680 15377098680 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
金锦乐(湖南)化学有限公司18001959627(微信同号) 18001959627 · [email protected]
南京信卓化工科技有限公司13245250309 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
河南阿尔法化工有限公司0371-55051623 18137891487 · [email protected]
深圳利斯康医药科技有限公司+86-755-89396905 +86-15013857715 · [email protected]
苏州睿火生物医药有限公司13162573103 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
上海鼓臣生物技术有限公司021-34675735 19147740836 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]
菏泽书颖生物科技有限公司18553078733 · [email protected]
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