N,N-ジメチルスルファミド

N,N-Dimethylsulfamide

HCID 134472CAS 3984-14-3

部分構造検索類似構造を探す

基本情報

標準SMILES: CN(C)S(N)(=O)=O
InChIKey: QMHAHUAQAJVBIW-UHFFFAOYSA-N
分子式: C2H8N2O2S
平均分子量: 124.17 g/mol
単同位体質量: 124.0306485

概要

a degradation product of the fungicide tolylfluanide; structure in first source

名称と識別子

優先名称: N,N-Dimethylsulfamide
IUPAC: [methyl(sulfamoyl)amino]methane
現地名: N,N-ジメチルスルファミド
英語名: N,N-Dimethylsulfamide
分子式: C2H8N2O2S
分子量: 124.16

名称と別名

N,N-Dimethylsulfamide3984-14-3Sulfamide, N,N-dimethyl-UH49VX43K7DTXSID3074735RefChem:822646DTXCID1039682(dimethylsulfamoyl)amine[methyl(sulfamoyl)amino]methaneDimethylsulfamideMFCD01861286N,N-Dimethylsulphamide

名称をさらに表示

N,N-ジメチルスルファミドN,N-ジメチルスルファモイルアミド(ジメチルスルファモイル)アミンEOS-60610N.N-DiMethylsuFomesafen Impurity 6N,N-Dimethylsulfamide>N,N-DIMETHYLSULFAMOYLAMIDEN,N-Dimethylsulfamide, ≥ 98.0%

N,N-dimethylsulfuric diamideN,N-DimethylsulfamoylamideQMHAHUAQAJVBIW-UHFFFAOYSA-SULPHAMIDE, N,N-DIMETHYL-Q1225752F3334-0811dimethyl(sulfamoyl)amineaminodimethylsulfonamide

データベース識別子

CAS: 3984-14-3
PubChem CID: 134472
DTXSID: DTXSID3074735
UNII: UH49VX43K7
EC Number: 818-440-4
Nikkaji: J1.413.693B

物性

構造計算による物性

XLogP: -1.2
極性表面積: 71.8 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 1
重原子数: 7
形式電荷: 0
複雑度: 130

実験および物理化学的性質

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

PesticidesPesticides -> Fungicides -> Amide fungicides -> Phenylsulfamide fungicides -> Transformation products

物理化学的性質

融点: 95 · 95-96
沸点: 216.9 · 216.9±23.0 °C(Predicted)
比重(密度): 1.327 · 1.327±0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
溶解性: アセトン（微量）、DMSO（微量）、メタノール（微量）
外見: 個体
酸解離定数(Pka): 11.41 · 11.41±0.60(Predicted)
色: ホワイトからオフホワイト
CAS データベース: 3984 · 3984-14-3(CAS DataBase Reference)
EPAの化学物質情報: Sulfamide, N,N-dimethyl- (3984-14-3)

化学的性質

化学的特性White Solid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, 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 3 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. 4 (100%)

安全データ

hs_code: 2935.90.9500
safety_code: 24/25

化学と産業

用途と製造

Use ClassificationPesticides -> Fungicides -> Amide fungicides -> Phenylsulfamide fungicides -> Transformation products

応用分野 · 1 件

使用N,N-Dimethylsulfamide is a byproduct of Tolylfluanide (T536730) fungicide decomposition found in some waters. Upon ozonization it becomes a precursor for carcinogenic Nitrosodimethylamine (N525625). Otherwise N,N-Dimethylsulfamide is a versatile reactant used in various syntheses such as preparation of N-sulfonylbenzaldimines in copper-catalyzed aza-Friedel-Crafts reactions with 1-methylindole.