2-ブロモ-N-フェニルアセトアミド

2-Bromo-N-phenylacetamide

HCID 94818CAS 5326-87-4

部分構造検索類似構造を探す

基本情報

標準SMILES: O=C(CBr)Nc1ccccc1
InChIKey: DCPLOIFDMMEBQZ-UHFFFAOYSA-N
分子式: C8H8BrNO
平均分子量: 214.06 g/mol
単同位体質量: 212.97892598

名称と識別子

優先名称: 2-Bromo-N-phenylacetamide
IUPAC: 2-bromo-N-phenylacetamide
現地名: 2-ブロモ-N-フェニルアセトアミド
英語名: 2-Bromo-N-phenyl-acetamide
分子式: C8H8BrNO
分子量: 214.06

名称と別名

2-Bromo-N-phenylacetamide5326-87-4CCRIS 1812NSC 4080DTXSID10201384RefChem:85833DTXCID101238752-bromo-N-phenyl-acetamideMFCD00462518N-phenyl-2-bromoacetamideAcetamide, 2-bromo-N-phenyl-2-Bromoacetoanilide

名称をさらに表示

2-ブロモアセトアニリド2-ブロモ-N-フェニルアセトアミドN-フェニル-2-ブロモアセトアミドAKOS BB/01402-bromo-N-phenyl-ethanamidephenylcarbaMoylMethylbroMide2-bromo-N-phenylacetamide(SALTDATA: FREE)

Acetamide,bromo-N-phenyl- (9CI)BromacetanilidCHEMBRDG-BB 4023663N-Phenylbromoacetamide2-bromo-n-phenyl acetamidephenylcarbamoylmethyl bromideAKOS BBB/492(2-Bromoacetyl)amino benzene

データベース識別子

CAS: 5326-87-4
PubChem CID: 94818
DTXSID: DTXSID10201384
EC Number: 979-515-6
Nikkaji: J443.957K

物性

構造計算による物性

XLogP: 1.9
極性表面積: 29.1 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 2
重原子数: 11
形式電荷: 0
複雑度: 132

物理化学的性質

融点: 132 °C · 132 °C(Solv: ethanol (64-17-5); water (7732-18-5))
沸点: 353.3 · 353.3±25.0 °C(Predicted)
比重(密度): 1.577 · 1.577±0.06 g/cm3(Predicted)
貯蔵温度: Inert atmosphere,Room Temperature
外見: solid
酸解離定数(Pka): 12.53 · 12.53±0.70(Predicted)
InChI: 1S/C8H8BrNO/c9-6-8(11)10-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11)
InChIKey: DCPLOIFDMMEBQZ-UHFFFAOYSA-N
SMILES: BrCC(=O)Nc1ccccc1

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301 (50%): 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, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 3 (50%)

安全データ

wgk: WGK 3
hs_code: 2924190090
risk_code: 25-36
hazard_code: T
safety_code: 26-45
hazard_class: IRRITANT
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

化学と産業

調製方法 · 1 件

製造方法A clean iodine flask rinsed with distilled water was taken and addition of 10 ml solution of 10 % sodium carbonate was done. Then 0.05g of aniline was poured and mixedevenly. Then slow and safe addition of acid was done and shaken properly until ppts of acetamide appeared. Filtered it and dried the ppts. Confirmation of reaction was checked by performing TLC. Solid product then obtained was weighed and kept.