1,1,1-트리메틸히드라지늄 아이오다이드
1,1,1-트리메틸히드라지늄아이오다이드 · 1,1,1-triMethylhydrazin-1-iuM iodide · Mildronate Impurity 1 · Allopurinol Impurity 13 · amino(trimethyl)azanium:iodide · 1,1,1-trimethyl-hydrazoniuiodide · 1,1,1-trimethyl-hydraziniuiodide · 1,1,1-TRIMETHYLHYDRAZONIUM IODIDE
식별자 및 물리적 특성
| CAS No. | 3288-80-0 |
|---|---|
| 분자식 | C3H11IN2 |
| 평균 분자량 | 202.04 g/mol |
| 단동위원소 질량 | 201.9967 g/mol |
| SMILES | C[N+](C)(C)N.[I-] |
| InChIKey | HLNPDVKKRBWQAA-UHFFFAOYSA-M |
| PubChem CID | 18683 |
| EC No. | 628-240-7 |
| DTXSID | DTXSID00954539 |
| 현지명 | 1,1,1-트리메틸히드라지늄 아이오다이드 |
화학 및 물리적 성질
| 극성 표면적 | 26 |
|---|---|
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 6 |
| 형식 전하 | 0 |
| 복잡도 | 26 |
| Physical Description | White powder[Sigma-Aldrich MSDS] |
| 녹는점 | 225-230 °C (dec.) (lit.) |
| 저장 조건 | 2-8°C, sealed storage, away from moisture and light |
| InChI | 1S/C3H11N2.HI/c1-5(2,3)4/h4H2,1-3H31H/q+1/p-1 |
| InChIKey | HLNPDVKKRBWQAA-UHFFFAOYSA-M |
| SMILES | [I-].C[N+](C)(C)N |
| EPA | 1,1,1-trimethylhydrazinium iodide (3288-80-0) |
안전 및 규제
| GHS 분류 | DangerH315 (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 exposureRespiratory 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 요약 | Causes convulsions and cardiac changes in intraperitoneal lethal-dose studies of miceLD50 = 255 mg/kg[RTECS] A skin and strong eye irritantPossible reproductive toxicant and teratogen[Sigma-Aldrich MSDS] See 1,2-Dimethylhydrazine. See Iodine for the TLV of Iodides. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (100%)Repr. 1B (100%) |
| 유해 작용 | Neurotoxin - Other CNS neurotoxin |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | MW0349100 |
| 관세 코드 | 2928009090 |
| 위험 문구(R) | 61-36/37/38 |
| 위험 표시 | T |
| 안전 문구(S) |
용도
용도
1,1,1-Trimethylhydrazinium iodide (TMHI) may be employed for the amination of 1-X-3,5-dinitrobenzenes.
일반 설명
1,1,1-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).