1,1,1-트리메틸히드라지늄 아이오다이드

Hydrazinium, 1,1,1-trimethyl-, iodide (1:1)

HCID 18683CAS 3288-80-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: C[N+](C)(C)N.[I-]
InChIKey: HLNPDVKKRBWQAA-UHFFFAOYSA-M
분자식: C3H11IN2
평균 분자량: 202.04 g/mol
단동위원소 질량: 201.9967

이름 및 식별자

우선 이름: Hydrazinium, 1,1,1-trimethyl-, iodide (1:1)
IUPAC: amino(trimethyl)azanium iodide
현지명: 1,1,1-트리메틸히드라지늄 아이오다이드
영어명: 1,1,1-TRIMETHYLHYDRAZINIUM IODIDE
분자식: C3H11IN2
분자량: 202.04

이름 및 동의어

3288-80-0Trimethylhydrazonium iodideHYDRAZINIUM, 1,1,1-TRIMETHYL-, IODIDENSC 33596NSC 123999Hydrazonium, 1,1,1-trimethyl-, iodideHydrazinium, 1,1,1-trimethyl-, iodide (1:1)RefChem:147028628-240-71,1,1-Trimethylhydrazinium iodideMFCD00464984amino(trimethyl)azanium;iodide

이름 더 보기

1,1,1-트리메틸히드라지늄아이오다이드Mildronate Impurity 1Allopurinol Impurity 13amino(trimethyl)azanium:iodide1,1,1-trimethyl-hydrazoniuiodide1,1,1-trimethyl-hydraziniuiodide1,1,1-TRIMETHYLHYDRAZONIUM IODIDE1,1,1-Trimethyl-1-hydrazinium Iodide1,1,1-TriMethylhydraziniuM iodide 97%

trimethylhydrazinium iodide1,1,1-TRIMETHYLHYDRAZINIUMIODIDE1,1-Trimethylhydrazinium iodide1,1,1-Trimethylhydrazin-1-ium iodideHydrazinium,1,1-trimethyl-, iodideHydrazonium,1,1-trimethyl-, iodideamino(trimethyl)azaniumamino(trimethyl)azanium,iodide

데이터베이스 식별자

CAS: 3288-80-0
PubChem CID: 18683
DTXSID: DTXSID00954539
EC Number: 628-240-7

물성

구조 계산 물성

극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 6
형식 전하: 0
복잡도: 26

실험 및 물리화학적 성질

Physical DescriptionWhite powder; [Sigma-Aldrich MSDS]

물리화학적 성질

녹는점: 225 · 225-230 °C (dec.) (lit.)
저장 조건: 2 · 2-8°C, sealed storage, away from moisture and light
InChI: 1S/C3H11N2.HI/c1-5(2,3)4;/h4H2,1-3H3;1H/q+1;/p-1
InChIKey: HLNPDVKKRBWQAA-UHFFFAOYSA-M
SMILES: [I-].C[N+](C)(C)N
EPA: 1 · 1,1,1-trimethylhydrazinium iodide (3288-80-0)

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H360 (100%): May damage fertility or the unborn child [Danger Reproductive toxicity]

P203, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P318, 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazards Summary · 1건

Causes convulsions and cardiac changes in intraperitoneal lethal-dose studies of mice; LD50 = 255 mg/kg; [RTECS] A skin and strong eye irritant; Possible reproductive toxicant and teratogen; [Sigma-Aldrich MSDS] See 1,2-Dimethylhydrazine. See Iodine for the TLV of Iodides.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)；Repr. 1B (100%)

독성 정보

Adverse EffectsNeurotoxin - Other CNS neurotoxin

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: MW0349100
HS 번호: 2928009090
risk_code: 61-36/37/38
hazard_code: T
safety_code: 53-36/37/39-45
Hazard Classifications: Eye Irrit. 2Repr. 1BSkin Irrit. 2STOT SE 3
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

용도 및 제조

General Manufacturing InformationHydrazinium, 1,1,1-trimethyl-, iodide (1:1): ACTIVE

응용 분야 · 2건

용도1,1,1-Trimethylhydrazinium iodide (TMHI) may be employed for the amination of 1-X-3,5-dinitrobenzenes.

일반 설명1,1,1-Trimethylhydrazinium iodide ([(CH3)3N-NH2]I, TMHI) is widely employed as a vicarious nucleophilic substitution (VNS) reagent for various aromatic amination reactions. On reaction with silver salt, it affords the following salts: nitrate (([(CH3)3N-NH2][NO3]), perchlorate ([(CH3)3N-NH2][ClO4]), azide ([(CH3)3N-NH2][N3]), 5-amino-1H-tetrazolate ([(CH3)3N-NH2][H2N-CN4]) and sulfate ([(CH3)3N-NH2]2[SO4].2H2O).