N,N-Dimethylsulfamide

HCID 134472CAS 3984-14-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CN(C)S(N)(=O)=O
InChIKey: QMHAHUAQAJVBIW-UHFFFAOYSA-N
분자식: C2H8N2O2S
평균 분자량: 124.17 g/mol
단동위원소 질량: 124.0306485

개요

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

이름 및 식별자

우선 이름: N,N-Dimethylsulfamide
IUPAC: [methyl(sulfamoyl)amino]methane
영어명: N,N-Dimethylsulfamide
분자식: C2H8N2O2S
분자량: 124.16

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: -1.2
극성 표면적: 71.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 7
형식 전하: 0
복잡도: 130

실험 및 물리화학적 성질

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

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

물리화학적 성질

녹는점: 95 · 95-96
끓는 점: 216.9 · 216.9±23.0 °C(Predicted)
밀도: 1.327 · 1.327±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
용해도: 아세톤(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 11.41 · 11.41±0.60(Predicted)
색상: 흰색에서 황백색까지
EPA: Sulfamide, N,N-dimethyl- (3984-14-3)

화학적 성질

White Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

HS 번호: 2935.90.9500
safety_code: 24/25

화학 및 산업

용도 및 제조

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

응용 분야 · 1건

용도N,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.