CAS 66410-87-5 7-Nitro-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid (HCID 12464533)

基本情報

CAS: 66410-87-5
標準SMILES: O=C(O)c1cc([N+](=O)[O-])cc2c1OCCO2
InChIKey: AVKRNLXCZBBZMD-UHFFFAOYSA-N
分子式: C9H7NO6
平均分子量: 225.15 g/mol
単同位体質量: 225.02733694

名称と識別子

優先名称: 7-Nitro-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
IUPAC: 7-nitro-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
英語名: 7-nitro-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
分子式: C9H7NO6
分子量: 225.15

名称と別名

7-nitro-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid66410-87-5SCHEMBL4179993AVKRNLXCZBBZMD-UHFFFAOYSA-NRCA41087AKOS0098480677-nitro-1,4-benzodioxane-5-carboxylic acidEN300-66425G262377-Nitro-2,3-dihydro-1,4-benzodioxin-5-carboxylic acid7-nitro-2,3-dihydro-1,4-benzodioxine-5-carboxylicacidZ445135168

名称をさらに表示

1,4-Benzodioxin-5-carboxylic acid, 2,3-dihydro-7-nitro-

データベース識別子

CAS: 66410-87-5
PubChem CID: 12464533
EC Number: 154-572-2

物性

構造計算による物性

XLogP: 1
極性表面積: 102 Å²
水素結合供与体数: 1
水素結合受容体数: 6
回転可能結合数: 1
重原子数: 16
形式電荷: 0
複雑度: 301

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]；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, 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.