2-ヒドロキシ-5-ニトロベンジル ブロミド

2-Hydroxy-5-nitrobenzyl bromide

HCID 13044CAS 772-33-8
部分構造検索類似構造を探す

基本情報

標準SMILES
O=[N+]([O-])c1ccc(O)c(CBr)c1
InChIKey
KFDPCYZHENQOBV-UHFFFAOYSA-N
分子式
C7H6BrNO3
平均分子量
232.03 g/mol
単同位体質量
230.95310515

概要

A chemical reagent that reacts with and modifies chemically the tryptophan portion of protein molecules. Used for 'active site' enzyme studies and other protein studies. Sometimes referred to as Koshland's reagent.

名称と識別子

優先名称
2-Hydroxy-5-nitrobenzyl bromide
IUPAC
2-(bromomethyl)-4-nitrophenol
現地名
2-ヒドロキシ-5-ニトロベンジル ブロミド
英語名
2-Hydroxy-5-nitrobenzyl bromide
分子式
C7H6BrNO3
分子量
232.03

名称と別名

772-33-82-HYDROXY-5-NITROBENZYL BROMIDEalpha-Bromo-4-nitro-o-cresolPhenol, 2-(bromomethyl)-4-nitro-Koshland Reagent IKoshland's Reagent IDS4XZE4Z7To-Cresol, alpha-bromo-4-nitro-NSC-89704KOSHLAND REAGENT 1DTXSID9061124Koshland Reagent
名称をさらに表示
2-ヒドロキシ-5-ニトロベンジル ブロミドコシュランド試薬1コシュランド試薬-IKoshland試薬1α-ブロモ-4-ニトロ-o-クレゾール2-ブロモメチル-4-ニトロフェノール2-(ブロモメチル)-4-ニトロフェノール2-ヒドロキシ-5-ニトロベンジルブロミドコシュランド試薬Koshland試薬Α‐ブロモ‐4‐ニトロ‐O‐クレゾールKOSHLAND IKOSHLAND'S REAGENTKoshland's reagent 1α-bromo-4-nitro-o-cresoα-bromo-4-nitro-o-cresola-Bromo-4-nitro-o-cresol2-BROMOMETHYL-4-NITROPHENOL
Koshlands ReagentReagent, KoshlandReagent, KoshlandsKoshlands Reagent IReagent I, Koshland'sRefChem:87448DTXCID50479562 Hydroxy 5 nitrobenzyl Bromide

データベース識別子

CAS
772-33-8
PubChem CID
13044
DTXSID
DTXSID9061124
UNII
DS4XZE4Z7T
EC Number
212-248-9
Nikkaji
J6.973F

物性

構造計算による物性

XLogP
1.8
極性表面積
66.1 Ų
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
12

物理化学的性質

融点
144 · 144-149 °C(lit.)
沸点
383 · 383.0±32.0 °C(Predicted)
比重(密度)
1.795 · 1.795
屈折率
1.609 · 1.6090 (estimate)
貯蔵温度
2 · 2-8°C
溶解性
25 mg/mL、透明、黄色 · クロロホルム：可溶25mg/mL、透明、黄色

化学的性質

化学的特性Beige to yellow crystalline powder

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesSkin Corr. 1B (100%)

安全データ

wgk
3
tsca
TSCA listed
ridadr
UN 3261 8/PG 2
hs_code
29089990
risk_code
34
消防法
危-5-II

化学と産業

薬理情報

MeSH Pharmacological Classification · 1 件

Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant & Hackh's Chemical Dictionary, 5th ed, p301, p499)

用途と製造

General Manufacturing InformationPhenol, 2-(bromomethyl)-4-nitro-: INACTIVE

応用分野

使用2-Hydroxy-5-nitrobenzyl bromide is a chemical reagent that reacts with and modifies chemically the tryptophan portion of protein molecules..

一般的な説明2-Hydroxy-5-nitrobenzyl bromide is a protein modifying reagent.

調製方法

純化方法Crystallise the bromide from *benzene or *benzene/ligroin. It is slightly soluble in EtOH, soluble in *C6H6 and AcOH, and very soluble in ligroin. [Beilstein 6 H 367.]

上流・下流製品情報

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