4-Quinazolinamine, N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-iodo-

HCID 10174519

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 231278-20-9
표준 SMILES: Fc1cccc(COc2ccc(Nc3ncnc4ccc(I)cc34)cc2Cl)c1
InChIKey: UHFPFDMMKYQMLC-UHFFFAOYSA-N
분자식: C21H14ClFIN3O
평균 분자량: 505.7 g/mol
단동위원소 질량: 504.98541597

이름 및 식별자

우선 이름: 4-Quinazolinamine, N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-iodo-
IUPAC: N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-iodoquinazolin-4-amine
영어명: N-[3-Chloro-4-(3-fluorobenzyloxy)phenyl]-6-iodoquinazolin-4-amine
분자식: C21H14ClFIN3O
분자량: 505.71

이름 및 동의어

N-(3-Chloro-4-((3-fluorobenzyl)oxy)phenyl)-6-iodoquinazolin-4-amine4-Quinazolinamine, N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-iodo-N-[3-CHLORO-4-[(3-FLUOROBENZYL)OXY]PHENYL]-6-IODOQUINAZOLIN-4-AMINEN-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-iodo-4-quinazolinamineN-{3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}-6-iodoquinazolin-4-amine4-Quinazolinamine, N-(3-chloro-4-((3-fluorophenyl)methoxy)phenyl)-6-iodo-N-(3-Chloro-4-((3-fluorophenyl)methoxy)phenyl)-6-iodo-4-quinazolinamineN-(3-Chloro-4-[(3-fluorobenzyl)oxy]phenyl)-6-iodoquinazolin-4-amineRefChem:526688458-180-5607-200-2231278-20-9

이름 더 보기

in-4-amine)-6-iodoquinazoLLapatinib Impurity 25Lapatinib Intermediate 2N-(3-Chloro-4-((3-fluorobenzyl)N-[3-Chloro-4-(3-fluorobenzyloxy)N-[3-Chloro-4-(3-fluorobenzyloxy)phenyl]-N-[3-Chloro-4-(3-fluorobenzyloxy)phenyl]-6-iodoquin[3-Chloro-4-[(3-fluorobenzyl)oxy]phenyl](6-iodoquinazol

N-[3-Chloro-4-(3-fluorobenzyloxy)phenyl]-6-iodoquinazolin-4-amineMFCD09998827C21H14ClFIN3On-(3-chloro-4-(3-fluorobenzyloxy)phenyl)-6-iodoquinazolin-4-amineLapatinib Impurity 11N-[3-Chloro-4-(3-Fluorobenzyloxy)-Phenyl]-6-Iodoquinazolin-4-AmineN-{3-Chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-iodoquinazolin-4-amine6-Iodo-4-[3-chloro-4-(3-fluorobenzyloxy)anilino]quinazoline

데이터베이스 식별자

CAS: 231278-20-9
PubChem CID: 10174519
DTXSID: DTXSID10436351
UNII: 3W4KWN3L2W
EC Number: 458-180-5、607-200-2
Nikkaji: J1.696.966D

물성

구조 계산 물성

XLogP: 6.3
극성 표면적: 47 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 5
무거운 원자 수: 28
형식 전하: 0
복잡도: 504

물리화학적 성질

녹는점: 222 · 222-224°C
끓는 점: 581.3 · 581.3±50.0 °C(Predicted)
밀도: 1.691 · 1.691±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨, 가열)
산도 계수 (pKa): 5.04 · 5.04±0.50(Predicted)
물리적 상태: 고체
색상: 노란색에서 진한 노란색까지
수용성: 물에 약간 용해됩니다.
InChI: InChI=1S/C21H14ClFIN3O/c22-18-10-16(5-7-20(18)28-11-13-2-1-3-14(23)8-13)27-21-17-9-15(24)4-6-19(17)25-12-26-21/h1-10,12H,11H2,(H,25,26,27)
InChIKey: UHFPFDMMKYQMLC-UHFFFAOYSA-N
SMILES: N1=C2C(C=C(I)C=C2)=C(NC2=CC=C(OCC3=CC=CC(F)=C3)C(Cl)=C2)N=C1

화학적 성질

Yellow Solid

안전 및 규제

GHS 분류

GHS Classification · 6건

H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P273, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P273, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Regulatory InformationStatus: Active Update: 19-02-2009 https://echa.europa.eu/registration-dossier/-/registered-dossier/3698

Hazard Classes and Categories · 2건

Aquatic Chronic 4 (100%)

안전 데이터

HS 번호: 2933.59.8000

화학 및 산업

응용 분야

용도Lapatinib intermediate

공급사100 곳

杭州创引化工科技有限公司0571-87086220 13516718938 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

合肥翰刚医药科技有限公司+8618062405514 · [email protected]

Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]

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