3,4-Dihydroisoquinoline-2(1H)-carbonyl chloride

HCID 21890571

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基本情報

CAS: 199480-42-7
標準SMILES: O=C(Cl)N1CCc2ccccc2C1
InChIKey: ICQJONGSPSQPOH-UHFFFAOYSA-N
分子式: C10H10ClNO
平均分子量: 195.64 g/mol
単同位体質量: 195.04509162

名称と識別子

優先名称: 3,4-Dihydroisoquinoline-2(1H)-carbonyl chloride
IUPAC: 3,4-dihydro-1H-isoquinoline-2-carbonyl chloride
英語名: 2(1H)-Isoquinolinecarbonylchloride,3,4-dihydro-(9CI)
分子式: C10H10ClNO
分子量: 195.65

名称と別名

199480-42-73,4-dihydroisoquinoline-2(1H)-carbonyl chlorideDTXSID80619533RefChem:271069DTXCID905702871,2,3,4-tetrahydroisoquinoline-2-carbonyl chloride2(1H)-ISOQUINOLINECARBONYL CHLORIDE, 3,4-DIHYDRO-3,4-dihydro-1H-isoquinoline-2-carbonyl ChlorideMFCD13174297SCHEMBL329871SCHEMBL29590995ICQJONGSPSQPOH-UHFFFAOYSA-N

名称をさらに表示

3,4-dihydro-2(1H)-Isoquinolinecarbonyl chloride2(1H)-Isoquinolinecarbonylchloride,3,4-dihydro-(9CI)

ZHA48042AKOS016368989DA-247473,4-dihydroisoquinoline-2(1H)-carbonylchlorideG37729EN300-12235831,2,3,4-tetrahydro-2-isoquinolinecarbonyl chloride1,2,3,4-tetrahydroisoquinolin-2-ylcarbonyl chloride

データベース識別子

CAS: 199480-42-7
PubChem CID: 21890571
DTXSID: DTXSID80619533
EC Number: 985-877-6
Nikkaji: J2.104.017G

物性

構造計算による物性

XLogP: 2.3
極性表面積: 20.3 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 13
形式電荷: 0
複雑度: 207

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, 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.