3,5-ジブロモサリチルアルデヒド

3,5-Dibromosalicylaldehyde

HCID 7024CAS 90-59-5

基本情報

標準SMILES
O=Cc1cc(Br)cc(Br)c1O
InChIKey
JHZOXYGFQMROFJ-UHFFFAOYSA-N
分子式
C7H4Br2O2
平均分子量
279.91 g/mol
単同位体質量
277.85780357

概要

structure in Merck Index, 9th ed, #2995

名称と識別子

優先名称
3,5-Dibromosalicylaldehyde
IUPAC
3,5-dibromo-2-hydroxybenzaldehyde
現地名
3,5-ジブロモサリチルアルデヒド
英語名
3,5-Dibromosalicylaldehyde
分子式
C7H4Br2O2
分子量
279.91

名称と別名

3,5-DIBROMOSALICYLALDEHYDE3,5-Dibromo-2-hydroxybenzaldehyde90-59-57A260PBI3ANSC-6221DTXSID1021796RefChem:91447DTXCID601796202-003-4DalydeBenzaldehyde, 3,5-dibromo-2-hydroxy-3,5-Dibromosalicylaldeyde
名称をさらに表示
3,5-ジブロモサリチルアルデヒド3,5-ジブロモ-2-ヒドロキシベンズアルデヒド3,5‐ジブロモサリチルアルデヒド2-ヒドロキシ-3-ブロモ-5-ブロモベンズアルデヒド2-ヒドロキシ-3,5-ジブロモベンズアルデヒドダリド2-ヒドロキシ-3,5-ジブロモベンゼンカルボアルデヒドジブロモサリチルアルデヒドAKOS B028985AKOS BBS-00003256OTAVA-BB BB7018801957SALOR-INT L497649-1EALABOTEST-BB LT00137784DibroMosalicylaldehydeDembrexine EP Impurity C5-DibroMosalicylaldehyde
2-Hydroxy-3,5-dibromobenzaldehydeMFCD00003318Salicylaldehyde, 3,5-dibromo-4,6-Dibromo-2-formylphenol; Dalyde; NSC 62213,5-dibromo-2-hydroxy-benzaldehydeSalicylaldehyde,5-dibromo-3,5-dibromo-salicylaldehydeCHEMBL229251

データベース識別子

CAS
90-59-5
PubChem CID
7024
DTXSID
DTXSID1021796
ChEMBL
CHEMBL229251
UNII
7A260PBI3A
EC Number
202-003-4
Nikkaji
J4.323K

物性

構造計算による物性

XLogP
3
極性表面積
37.3 Ų
水素結合供与体数
1
水素結合受容体数
2
回転可能結合数
1
重原子数
11

物理化学的性質

融点
82 · 82-83.5 °C (lit.)
沸点
261.2 · 261.2±35.0 °C(Predicted)
比重(密度)
1.9661 · 1.9661 (rough estimate)
屈折率
1.497 · 1.4970 (estimate)
貯蔵温度
Keep in dark place,Sealed in dry,Room Temperature
溶解性
25 mg/mL、透明、黄色から褐色 · メタノール: 可溶25mg/mL、透明、黄色から褐色
化学的性質 · 1 件

化学的特性yellow to yellow-brown crystalline powder.3,5-Dibromosalicylaldehyde has an aromatic odor, and like salicylaldehyde, the compound colors the skin bright yellow. It is readily soluble in ether, benzene, chloroform, and hot alcohol. It imparts a yellow colour to cold water and is slightly soluble in boiling water, so it may be purified by distillation with steam. With the addition of sodium hydroxide, the brilliant yellow sodium salt separates; it is difficultly soluble in cold water or alcohol but more readily soluble when heated with these solvents.

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (92.5%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 53 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationStatus: Active Update: 12-06-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19749
Hazard Classes and CategoriesSkin Irrit. 2 (92.5%)

安全データ

wgk
3
rtecs
CU5609000
ridadr
UN 3077 9 / PGIII
hs_code
29130000
risk_code
36/37/38
hazard_code
Xi

化学と産業

応用分野 · 2 件

使用3,5-Dibromosalicylaldehyde reacts with alkyl cyanoacetates in the presence of ammonium acetate to yield 4H- chromenes. It can be used in the synthesis of Schiff base and can be used as reactant for synthesis of Schiff base ligands which forms mononuclear complexes with copper(II), nickel(II), zinc(II) and cobalt(II).

一般的な説明3,5-Dibromosalicylaldehyde reacts with alkyl cyanoacetates in the presence of ammonium acetate to yield 4H- chromenes.

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Changzhou Carman Chemical Co., Ltd.15061933924

関連反応

22 件

関連ノート

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