2'-ニトロ-4'-ブロモアセトアニリド

N-(4-bromo-2-nitrophenyl)acetamide

HCID 136690

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 881-50-5
標準SMILES: CC(=O)Nc1ccc(Br)cc1[N+](=O)[O-]
InChIKey: GUBNCRISSRANNO-UHFFFAOYSA-N
分子式: C8H7BrN2O3
平均分子量: 259.06 g/mol
単同位体質量: 257.964

名称と識別子

優先名称: N-(4-bromo-2-nitrophenyl)acetamide
IUPAC: N-(4-bromo-2-nitrophenyl)acetamide
現地名: 2'-ニトロ-4'-ブロモアセトアニリド
英語名: 4'-BROMO-2'-NITROACETANILIDE
分子式: C8H7BrN2O3
分子量: 259.06

名称と別名

N-(4-Bromo-2-nitrophenyl)acetamide881-50-5RefChem:827218618-120-24'-Bromo-2'-nitroacetanilide4-Bromo-2-nitroacetanilideMFCD00024299Acetamide, N-(4-bromo-2-nitrophenyl)-4//'-Bromo-2//'-nitroacetanilideN-(4-bromo-2-nitro-phenyl)-acetamideN-(2-Nitro-4-bromophenyl)acetamideNSC142293

名称をさらに表示

2'-ニトロ-4'-ブロモアセトアニリドN-(2-ニトロ-4-ブロモフェニル)アセトアミド4'-ブロモ-2'-ニトロアセトアニリド4'-ブロモ-2'-ニトロアセトアニリド臭化物N-(4-ブロモ-2-ニトロフェニル)アセトアミドN-(4-bromo-2-nitro-phenyl)ethanamide

N-(4-bromo-2-nitro-phenyl)acetamide2-Nitro-4-bromacetanilidN-(4-Bromo-2-nitrophenyl)SCHEMBL978546SCHEMBL31331661DTXSID10236818N-Acetyl 4-bromo-2-nitroanilineALBB-023629

データベース識別子

CAS: 881-50-5
PubChem CID: 136690
DTXSID: DTXSID10236818
EC Number: 618-120-2
Nikkaji: J89.925I

物性

構造計算による物性

XLogP: 1.8
極性表面積: 74.9 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 14
形式電荷: 0
複雑度: 241

物理化学的性質

融点: 102 · 102-104°C
沸点: 416.8 · 416.8±35.0 °C(Predicted)
比重(密度): 1.72 · 1.720±0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
酸解離定数(Pka): 12.96 · 12.96±0.70(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H317 (97.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 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.