1,2,3,4-Tetrahydroquinoline-1-carbonyl chloride

HCID 13591069CAS 2616-50-4

基本情報

標準SMILES: O=C(Cl)N1CCCc2ccccc21
InChIKey: KRGMMKVSHXVQCM-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: 1,2,3,4-Tetrahydroquinoline-1-carbonyl chloride
IUPAC: 3,4-dihydro-2H-quinoline-1-carbonyl chloride

名称と別名

1,2,3,4-Tetrahydroquinoline-1-carbonyl ChlorideRefChem:410607896-444-52616-50-41(2H)-Quinolinecarbonyl chloride, 3,4-dihydro-3,4-Dihydroquinoline-1(2H)-carbonyl chloride3,4-dihydro-2h-quinoline-1-carbonyl chloridestarbld0043635SCHEMBL330273SCHEMBL30592391DTXSID10544546KRGMMKVSHXVQCM-UHFFFAOYSA-N

名称をさらに表示

CAA61650AKOS017514328DA-075813,4-Dihydroquinolin-1(2H)-carbonyl chlorideG447231,2,3,4-tetrahydroquinolin-1-carbonyl chlorideEN300-1721959

データベース識別子

CAS: 2616-50-4
PubChem CID: 13591069
DTXSID: DTXSID10544546
EC Number: 896-444-5
Nikkaji: J3.765.573B

物性

構造計算による物性

XLogP: 2.7
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

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.