7-Nitro-2,3-dihydro-1,4-benzodioxin-6-amine

HCID 607208CAS 62140-78-7

基本情報

標準SMILES: Nc1cc2c(cc1[N+](=O)[O-])OCCO2
InChIKey: FPLCYUDKBMTETP-UHFFFAOYSA-N
分子式: C8H8N2O4
平均分子量: 196.16 g/mol
単同位体質量: 196.04840674

名称と識別子

優先名称: 7-Nitro-2,3-dihydro-1,4-benzodioxin-6-amine
IUPAC: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-amine
英語名: 7-NITRO-2,3-DIHYDRO-BENZO[1,4]DIOXIN-6-YLAMINE
分子式: C8H8N2O4
分子量: 196.16

名称と別名

62140-78-77-Nitro-2,3-dihydro-1,4-benzodioxin-6-amineDTXSID80345800RefChem:311116DTXCID302968737-Nitro-2,3-dihydro-benzo[1,4]dioxin-6-ylamineMFCD004640576-nitro-2,3-dihydro-1,4-benzodioxin-7-amine7-Nitro-2,3-dihydrobenzo[b][1,4]dioxin-6-amine7-nitro-2H,3H-benzo[e]1,4-dioxane-6-ylamineMLS000561762SCHEMBL1624146

名称をさらに表示

CHEMBL1477705SCHEMBL31000979HMS2558A11ALBB-036273MCA140786-Nitro-7-amino-1,4-benzodioxaneSBB013347STK396438

データベース識別子

CAS: 62140-78-7
PubChem CID: 607208
DTXSID: DTXSID80345800
ChEMBL: CHEMBL1477705
EC Number: 988-982-5

物性

構造計算による物性

XLogP: 1.3
極性表面積: 90.3 Å²
水素結合供与体数: 1
水素結合受容体数: 5
回転可能結合数: 0
重原子数: 14
形式電荷: 0
複雑度: 230

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.