CAS 57018-46-9 4-Azidophenacyl bromide (HCID 92627)

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基本情報

CAS: 57018-46-9
標準SMILES: [N-]=[N+]=Nc1ccc(C(=O)CBr)cc1
InChIKey: LZJPDRANSVSGOR-UHFFFAOYSA-N
分子式: C8H6BrN3O
平均分子量: 240.06 g/mol
単同位体質量: 238.96942391

概要

photolabile bifunctional reagent; bromide is an integral part of cpd; structure

名称と識別子

優先名称: 4-Azidophenacyl bromide
IUPAC: 1-(4-azidophenyl)-2-bromoethanone
現地名: 4-アジドフェナシルブロミド
英語名: 4-AZIDOPHENACYL BROMIDE
分子式: C8H6BrN3O
分子量: 240.06

名称と別名

4-Azidophenacyl bromide57018-46-9p-Azidophenacyl Bromide4-azidophenacylbromideEthanone, 1-(4-azidophenyl)-2-bromo-POZ2E56V0YDTXSID30205627APA bromideRefChem:97933DTXCID60128118260-519-51-(4-azidophenyl)-2-bromoethanone

名称をさらに表示

1-(4-アジドフェニル)-2-ブロモエタノンp-アジドフェナシルブロミド4'-アジド-α-ブロモアセトフェノン4-アジドフェナシルブロミド4′-アジド-α-ブロモアセトフェノン1-(4-アジドフェニル)-2-ブロモエタン-1-オンα-ブロモ-4′-アジドアセトフェノン4'-Azido-α-bromoacetophenone4μ-Azido-2-bromoacetophenone, 4-Azido-α-bromoacetophenone1-(4-Azidophenyl)-2-bromoethan-1-one, 4-(Bromoacetyl)phenyl azide

4-Azidophenacyl bromide powder1-(4-Azidophenyl)-2-bromoethan-1-one4'-Azido-2-bromoacetophenoneMFCD000426371-(4-Azidophenyl)-2-bromo-ethanoneUNII-POZ2E56V0YEINECS 260-519-5orb2939607

データベース識別子

CAS: 57018-46-9

物性

構造計算による物性

XLogP: 3.3
極性表面積: 31.4 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 3
重原子数: 13
形式電荷: 0
複雑度: 230

物理化学的性質

融点: 64 · 64-65 °C
貯蔵温度: 2 · 2-8°C
溶解性: 50 mg/mL · メタノール: 50 mg/mL
外見: 粉
色: 黄色
BRN: 1961705 · 1961705
安定性: Light, Temperature And Moisture Sensitive, Temperature and Moisture sensitive
InChI: 1S/C8H6BrN3O/c9-5-8(13)6-1-3-7(4-2-6)11-12-10/h1-4H,5H2
InChIKey: LZJPDRANSVSGOR-UHFFFAOYSA-N
SMILES: BrCC(=O)c1ccc(cc1)N=[N+]=[N-]

化学的性質

化学的特性4-AZIDOPHENACYL BROMIDE is off-White Crystalline Solid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H228 (100%): Flammable solid [Danger Flammable solids]

P210, P233, P240, P241, P260, P261, P264, P271, P272, P280, P284, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P333+P317, P342+P316, P362+P364, P363, P370+P378, P403, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 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 CategoriesFlam. Sol. 1 (100%)

安全データ

F: 4.5-8-10-19
wgk: 3
ridadr: UN 1325 4.1/PG 2
hs_code: 29299090
risk_code: 11-34-42/43
hazard_code: F,C
safety_code: 16-26-27-36/37/39-45
hazard_class: 4.1
packing_group: III
Hazard Classifications: Eye Dam. 1Flam. Sol. 1Resp. Sens. 1Skin Corr. 1BSkin Sens. 1
ストレージクラス: 4.1B - Flammable solid hazardous materials

化学と産業

薬理情報

MeSH Pharmacological Classification · 1 件

Biologically active molecules which are covalently bound to the enzymes or binding proteins normally acting on them. Binding occurs due to activation of the label by ultraviolet light. These labels are used primarily to identify binding sites on proteins.

応用分野 · 1 件

使用4-AZIDOPHENACYL BROMIDE is a versatile photolabile bifunctional reagent. Useful for investigating the active sites of sulfhydryl enzymes-particularly those which posess a particularly reactive cysteine residue at the active site. Used to study the nature of the ribosomal binding site of E. coli tRNAVal.

サプライヤー16 社

艾吉析科技（上海）有限公司17717235263 · [email protected]

武汉易泰科技有限公司上海分公司18930552037 · [email protected]

安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]

上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]

吉林中科研伸科技有限公司18143011203 · [email protected]

化合物ノート

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