ゴールド試薬

Gold's Reagent

HCID 11008255

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 20353-93-9
標準SMILES: CN(C)C=NC=[N+](C)C.[Cl-]
InChIKey: DEIBXAPEZDJDRC-UHFFFAOYSA-M
分子式: C6H14ClN3
平均分子量: 163.65 g/mol
単同位体質量: 163.08762513

名称と識別子

優先名称: Gold's Reagent
IUPAC: (dimethylaminomethylideneamino)methylidene-dimethylazanium chloride
現地名: ゴールド試薬
英語名: (DIMETHYLAMINOMETHYLENE-AMINOMETHYLENE)DIMETHYLAMMONIUM CHLORIDE
分子式: C6H14ClN3
分子量: 163.65

名称と別名

Gold's ReagentRefChem:782603627-641-420353-93-9({[(dimethylamino)methylidene]amino}methylidene)dimethylazanium chloride[3-(Dimethylamino)-2-azaprop-2-en-1-ylidene]dimethylammonium chlorideN-((((Dimethylamino)methylene)amino)methylene)-N-methylmethanaminium chlorideMFCD00011793bis(dimethylaminomethylidene)azanium;chloride(dimethylaminomethylene-aminomethylene)dimethylammonium chloride(Dimethylaminomethyleneaminomethylene)dimethylammonium chloride(([(Dimethylamino)methylidene]amino)methylidene)dimethylazanium chloride

名称をさらに表示

ゴールド試薬[[[(ジメチルアミノ)メチレン]アミノ]メチレン]ジメチルアンモニウムクロリドGold試薬N-[[[(ジメチルアミノ)メチレン]アミノ]メチレン]-N-メチルメタンアミニウム・クロリドGold'sReagent>Gold's Reagent 95%Gold′s Reagent, CAS 20353-93-9

ST51038132[[[(Dimethylamino)methylene]amino]methylene]dimethylammonium Chloridegold'SGold inverted exclamation mark s ReagentGold's Reagent 95%SCHEMBL296458SCHEMBL296459SCHEMBL27861214

データベース識別子

CAS: 20353-93-9
PubChem CID: 11008255
DTXSID: DTXSID20451631
EC Number: 627-641-4

物性

構造計算による物性

極性表面積: 18.6 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 2
重原子数: 10
形式電荷: 0
複雑度: 106

物理化学的性質

融点: 100 · 100-102 °C (lit.)
溶解性: soluble in Methanol
外見: powder to crystal
色: Light orange to Yellow to Green
InChI: InChI=1S/C6H14N3.ClH/c1-8(2)5-7-6-9(3)4;/h5-6H,1-4H3;1H/q+1;/p-1
InChIKey: DEIBXAPEZDJDRC-UHFFFAOYSA-M
SMILES: N(C)(C)/C=N/C=[N+](/C)\C.[Cl-]

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 40 reports by companies from 3 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 CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
hs_code: 2925.29.9000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

使用Gold′s Reagent was used in the synthesis of 4-hydroxyquinazoline by reacting with ortho aminobenzoic acids.

使用[[[(Dimethylamino)methylene]amino]methylene]dimethylammonium Chloride is a β-dimethylaminomethylenating agent for ketones and amines; yields enamino derivatives of esters and lactones; converts Grignard reagents to aldehydes.