2-メチル-5-ブロモ-8-ニトロ-1,2,3,4-テトラヒドロイソキノリン

5-Bromo-2-methyl-8-nitro-1,2,3,4-tetrahydroisoquinoline

HCID 10016010

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 104737-00-0
標準SMILES: CN1CCc2c(Br)ccc([N+](=O)[O-])c2C1
InChIKey: DXRCGGKIRYSZQP-UHFFFAOYSA-N
分子式: C10H11BrN2O2
平均分子量: 271.11 g/mol
単同位体質量: 270.00039

名称と識別子

優先名称: 5-Bromo-2-methyl-8-nitro-1,2,3,4-tetrahydroisoquinoline
IUPAC: 5-bromo-2-methyl-8-nitro-3,4-dihydro-1H-isoquinoline
現地名: 2-メチル-5-ブロモ-8-ニトロ-1,2,3,4-テトラヒドロイソキノリン
英語名: 5-bromo-2-methyl-8-nitro-1,2,3,4-tetrahydroisoquinoline
分子式: C10H11BrN2O2
分子量: 271.11

名称と別名

104737-00-05-BROMO-2-METHYL-8-NITRO-1,2,3,4-TETRAHYDROISOQUINOLINEDTXSID70434257RefChem:301712DTXCID20385083836-847-55-bromo-2-methyl-8-nitro-3,4-dihydro-1H-isoquinolineMFCD09955235SCHEMBL30209385-Bromo-2-methyl-8-nitro-1234-tetrahydroisoquinolineIsoquinoline,5-bromo-1,2,3,4-tetrahydro-2-methyl-8-nitro-AKOS015908984

名称をさらに表示

5-ブロモ-2-メチル-8-ニトロ-1,2,3,4-テトラヒドロイソキノリン2-メチル-5-ブロモ-8-ニトロ-1,2,3,4-テトラヒドロイソキノリンIsoquinoline, 5-bromo-1,2,3,4-tetrahydro-2-methyl-8-nitro-

DS-14019SY111586C71190F225363A1-104465-Bromo-1,2,3,4-tetrahydro-2-methyl-8-nitroisoquinoline5-bromo-2-methyl-8-nitro-1,2,3,4-tetrahydro-isoquinoline5-Bromo-N-methyl-8-nitro-1,2,3,4-tetrahydroisoquinoline

データベース識別子

CAS: 104737-00-0
PubChem CID: 10016010
DTXSID: DTXSID70434257
EC Number: 836-847-5
Nikkaji: J2.806.799B

物性

構造計算による物性

XLogP: 2.3
極性表面積: 49.1 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 0
重原子数: 15
形式電荷: 0
複雑度: 256

物理化学的性質

融点: 88 · 88-89.5 °C(Solv: ethanol (64-17-5))
沸点: 345.7 · 345.7±42.0 °C(Predicted)
比重(密度): 1.546 · 1.546±0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
酸解離定数(Pka): 7.22 · 7.22±0.20(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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)

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