2-Amino-3,5-dibromopyrazine
3,5-DIBROMOPYRAZIN-2-AMINE · Amino-3,5-dibromopyrazine · 2-AMINO-3,5-DIBROMOPYRAZIN · 3,5-DIBROMOPYRAZIN-2-YLAMINE · 2-Amino-3,5-dibromop · 3,5-dibromo-2-aminop · Alprostadil Impurity 16 · 5-dibromo-2-aminopyrazine
식별자 및 물리적 특성
| CAS No. | 24241-18-7 |
|---|---|
| 분자식 | C4H3Br2N3 |
| 평균 분자량 | 252.89 g/mol |
| 단동위원소 질량 | 250.8693713 g/mol |
| SMILES | Nc1ncc(Br)nc1Br |
| InChIKey | DTLBKXRFWUERQN-UHFFFAOYSA-N |
| PubChem CID | 620004 |
| EC No. | 628-514-6 |
| DTXSID | DTXSID50347316 |
화학 및 물리적 성질
| XLogP | 1.5 |
|---|---|
| 극성 표면적 | 51.8 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 9 |
| 형식 전하 | 0 |
| 복잡도 | 99.8 |
| 녹는점 | 114-117 °C (lit.) |
| 끓는 점 | 294.6±35.0 °C(Predicted) |
| 밀도 | 2.287±0.06 g/cm3(Predicted) |
| 저장 조건 | Keep in dark place,Inert atmosphere,2-8°C |
| 용해도 | 메탄올에 용해됨 |
| pKa(산도 계수) | 0.81±0.10(Predicted) |
| 물리적 상태 | 가루 |
| 색상 | 노란색에서 갈색으로 |
| InChI | InChI=1S/C4H3Br2N3/c5-2-1-8-4(7)3(6)9-2/h1H,(H2,7,8) |
| InChIKey | DTLBKXRFWUERQN-UHFFFAOYSA-N |
| SMILES | C1(N)=NC=C(Br)N=C1Br |
화학적 성질
white to light yellow crystal powde
안전 및 규제
| GHS 분류 | DangerH301 (80.4%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 51 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Status: Active Update: 15-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33599 |
| Hazard Classes and Categories | Acute Tox. 3 (80.4%) |
| 수질 위해 등급(WGK) | 3 |
| 운송 번호(UN) | UN 2811 6.1/PG 3 |
| 관세 코드 | 29339900 |
| 위험 문구(R) | 22-37/38-41 |
| 위험 표시 | Xn,Xi |
| 안전 문구(S) | 26-36/39 |
| 포장분류 | III |
| 위험 등급 | 6.1Acute Tox. 3 OralEye Dam. 1Skin Irrit. 2STOT SE 3 |
| 저장 분류 | 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects |
용도
용도
2-Amino-3,5-dibromopyrazine is used in the preparation of conjugated polymers for neurotoxin detection. 2-Amino-3,5-dibromopyrazine is an intermediate in the preparation of rho kinase (ROCK) inhibitor s.
일반 설명
2-Amino-3,5-dibromopyrazine can be synthesized from 2-aminopyrazine via bromination using N-bromosuccinimide (NBS). It reacts with sodium dicyanocuprate to form a mixture of mono and dicyanation products. The formation of 2-aminothiazolopyrazines by reacting 2-amino-3,5-dibromopyrazine with isothiocyanates has been reported.