2-アミノ-5-ブロモベンゼンスルホンアミド

2-Amino-5-bromobenzenesulfonamide

HCID 820700CAS 54734-84-8

部分構造検索類似構造を探す

基本情報

標準SMILES: Nc1ccc(Br)cc1S(N)(=O)=O
InChIKey: BGILQOXCWMHWOM-UHFFFAOYSA-N
分子式: C6H7BrN2O2S
平均分子量: 251.1 g/mol
単同位体質量: 249.94116

名称と識別子

優先名称: 2-Amino-5-bromobenzenesulfonamide
IUPAC: 2-amino-5-bromobenzenesulfonamide
現地名: 2-アミノ-5-ブロモベンゼンスルホンアミド
英語名: 2-Amino-5-bromobenzenesulfonamide
分子式: C6H7BrN2O2S
分子量: 251.1

名称と別名

2-amino-5-bromobenzenesulfonamide54734-84-8DTXSID00356231RefChem:255673DTXCID70307290637-228-02-Amino-5-bromobenzenesulphonamideMFCD034268352-amino-5-bromobenzene-1-sulfonamideAKOS010212633AT23123PS-4109

名称をさらに表示

2-アミノ-5-ブロモベンゼンスルホンアミド2-アミノ-5-ブロモベンゼンスルホンアミド臭化水素酸塩4-Bromo-2-sulphamoylanilineBenzenesulfonamide, 2-amino-5-bromo-4-Bromo-2-sulphamoylaniline, 2-(Aminosulphonyl)-4-bromoaniline

2-Amino-5-bromobenzenesulfonamide, 97%EN300-272696SCHEMBL1522775SBB100892SY491281F843490

データベース識別子

CAS: 54734-84-8
PubChem CID: 820700
DTXSID: DTXSID00356231
EC Number: 637-228-0

物性

構造計算による物性

XLogP: 0.9
極性表面積: 94.6 Å²
水素結合供与体数: 2
水素結合受容体数: 4
回転可能結合数: 1
重原子数: 12
形式電荷: 0
複雑度: 249

物理化学的性質

融点: 170 · 170-176°C
沸点: 424.4 · 424.4±55.0 °C(Predicted)
比重(密度): 1.834 · 1.834±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
酸解離定数(Pka): 10.02 · 10.02±0.60(Predicted)
外見: solid
InChI: 1S/C6H7BrN2O2S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3H,8H2,(H2,9,10,11)
InChIKey: BGILQOXCWMHWOM-UHFFFAOYSA-N
SMILES: Nc1ccc(Br)cc1S(N)(=O)=O

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (97.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.