CAS 126807-09-8 3-Bromo-6-nitro-1H-indole (HCID 14707934)

基本情報

CAS: 126807-09-8
標準SMILES: O=[N+]([O-])c1ccc2c(Br)c[nH]c2c1
InChIKey: CUHNSXKCMBQLRL-UHFFFAOYSA-N
分子式: C8H5BrN2O2
平均分子量: 241.04 g/mol
単同位体質量: 239.95344

名称と識別子

優先名称: 3-Bromo-6-nitro-1H-indole
IUPAC: 3-bromo-6-nitro-1H-indole
英語名: 3-Bromo-6-nitroindole
分子式: C8H5BrN2O2
分子量: 241.04

名称と別名

3-BROMO-6-NITRO-1H-INDOLE126807-09-8DTXSID90563210RefChem:277666DTXCID805139861H-Indole, 3-bromo-6-nitro-3-BROMO-6-NITROINDOLEMFCD116382123-bromo-6-nitro indoleSCHEMBL1629212SCHEMBL31520782CUHNSXKCMBQLRL-UHFFFAOYSA-N

名称をさらに表示

AKOS009446886AB64458AS-0630SY006258DB-014648CS-0088556V10157EN300-3204623

データベース識別子

CAS: 126807-09-8
PubChem CID: 14707934
DTXSID: DTXSID90563210
EC Number: 983-689-9

物性

構造計算による物性

XLogP: 2.6
極性表面積: 61.6 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 13
形式電荷: 0
複雑度: 219

物理化学的性質

貯蔵温度: 2 · Storage temp. 2-8°C

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.