6-Bromo-3,4-dihydro-2H-isoquinolin-1-one

HCID 21865450CAS 147497-32-3
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
O=C1NCCc2cc(Br)ccc21
InChIKey
FQPKKECSRKYXIZ-UHFFFAOYSA-N
분자식
C9H8BrNO
평균 분자량
226.07 g/mol
단동위원소 질량
224.97892598

이름 및 식별자

우선 이름
6-Bromo-3,4-dihydro-2H-isoquinolin-1-one
IUPAC
6-bromo-3,4-dihydro-2H-isoquinolin-1-one
영어명
6-BROMO-3,4-DIHYDRO-2H-ISOQUINOLIN-1-ONE
분자식
C9H8BrNO
분자량
226.07

이름 및 동의어

6-Bromo-3,4-dihydro-2H-isoquinolin-1-oneRefChem:540839818-974-8147497-32-36-bromo-3,4-dihydroisoquinolin-1(2H)-one1(2H)-ISOQUINOLINONE, 6-BROMO-3,4-DIHYDRO-MFCD041148586-Bromo-3,4-dihydro-1(2H)-isoquinolinone6-bromo-1,2,3,4-tetrahydroisoquinolin-1-oneCHEMBL4565268SCHEMBL581700SCHEMBL1002712
이름 더 보기
6-BROMO-3,4-1(1H)-ISOQUINOLINONE6-BROMO-3,4-DIHYDRO-2H-ISOQUINOLIN-1-ON6-BROMO-3,4-DIHYDRO-1(1H)-ISOQUINOLINONE6-BroMo-1-oxo-1,2,3,4-tetrahydroisoquinoline1(2H)-Isoquinolinone, 6-bromo-3,4-dihydro- , 97%min
DTXSID10619066FQPKKECSRKYXIZ-UHFFFAOYSA-NCS-D0456BDBM50503861AKOS015900182EBC-610867FS-2432PB27642

데이터베이스 식별자

CAS
147497-32-3
PubChem CID
21865450
DTXSID
DTXSID10619066
ChEMBL
CHEMBL4565268
EC Number
818-974-8
Nikkaji
J3.151.680C

물성

구조 계산 물성

XLogP
1.9
극성 표면적
29.1 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
1
회전 가능 결합 수
0
무거운 원자 수
12

물리화학적 성질

녹는점
170 · 170.0-173.1 °C
끓는 점
453.3 · 453.3±45.0 °C(Predicted)
밀도
1.559 · 1.559±0.06 g/cm3(Predicted)
저장 조건
Sealed in dry,Room Temperature
물리적 상태
가루
산도 계수 (pKa)
14.22 · 14.22±0.20(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 25% (1 of 4) of reports.

Warning

H302+H312+H332 (25%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (50%)

안전 데이터

HS 번호
2933499090

화학 및 산업

응용 분야 · 1건

용도6-bromo-3,4-dihydroisoquinolin-1(2H)-one is an intermediate used in the synthesis of benzolactams as dopamine D3 receptor ligands.IT is also used in the synthesis of new, selective 3-aminopyrazole based MK2-inhibitors that was proved to inhibit intracellular phosphorylation of hsp27 as well as LPS-induced TNFα release in cells.

상·하류 제품 정보

공급사50 곳

杭州创引化工科技有限公司0571-87086220 13516718938 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]

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