Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
2,1,3-벤조싸이아다이아졸-4-일아민
2,1,3-벤조싸이아다이아졸-4-일아민 · 4-아미노벤조-2,1,3-티아디아졸 · benzo[c][1,2,5]thiadiazol-4-amine · 4-AMINO-2,1,3-BENZOTHIADIAZOLE · AI3-60012 · NSC 73013 · 22726-33-6 · BRN 0003551
식별자 및 물리적 특성
| CAS No. | 767-64-6 |
|---|---|
| 분자식 | C6H5N3S |
| 평균 분자량 | 151.19 g/mol |
| 단동위원소 질량 | 151.02041835 g/mol |
| SMILES | Nc1cccc2nsnc12 |
| InChIKey | DRLGIZIAMHIQHL-UHFFFAOYSA-N |
| PubChem CID | 69845 |
| ChEMBL | CHEMBL1447590 |
| EC No. | 212-186-2 |
| DTXSID | DTXSID60227498 |
| 현지명 | 2,1,3-벤조싸이아다이아졸-4-일아민 |
화학 및 물리적 성질
| XLogP | 1.1 |
|---|---|
| 극성 표면적 | 80 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 10 |
| 형식 전하 | 0 |
| 복잡도 | 130 |
| 녹는점 | 67-69 °C (lit.) |
| 끓는 점 | 303.0±15.0 °C(Predicted) |
| 밀도 | 1.485±0.06 g/cm3(Predicted) |
| 저장 조건 | Keep in dark place,Inert atmosphere,Room temperature |
| 물리적 상태 | powder to crystal |
| pKa(산도 계수) | 0.81±0.10(Predicted) |
| 색상 | Light yellow to Amber to Dark green |
| 용해도 | 물에 불용성. |
| BRN | 3551 |
| InChI | InChI=1S/C6H5N3S/c7-4-2-1-3-5-6(4)9-10-8-5/h1-3H,7H2 |
| InChIKey | DRLGIZIAMHIQHL-UHFFFAOYSA-N |
| SMILES | N1=C2C=CC=C(N)C2=NS1 |
| NIST | 4-Amino-2,1,3-benzothiadiazole(767-64-6) |
화학적 성질
white to light yellow crystal powder
안전 및 규제
| GHS 분류 | WarningH302 (98.6%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 74 reports by companies from 4 notifications to the ECHA C&L Inventory.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. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (98.6%) |
| 수질 위해 등급(WGK) | 3 |
| RTECS 번호 | DK9950000 |
| 운송 번호(UN) | 2811 |
| 관세 코드 | 2934.99.4400 |
| 위험 문구(R) | 22-36/37/38-20/21/22 |
| 위험 표시 | Xn,Xi |
| 안전 문구(S) | 22-26-36/37/39 |
| 포장분류 | III |
| 위험 등급 | IRRITANT |
| 기존화학 물질 | KE-02720 |
용도
용도
4-Aminobenzo-2,1,3-thiadiazole is used in a study to synthesize and evaluate the inhibitory activity of a series of substituted benzimidazoles and small benzothiadiazoles on rat liver methionine synthase. It was used as potential levelers for Cu plating in submicrometer trenches.
일반 설명
4-Amino-2,1,3-benzothiadiazole is a gold green to yellow brown powder. It undergoes palladium catalyzed C-N coupling with 2-(2′-bromo-9′,9′-diethylfluoren-7′-yl)-9,9-diethylfluorene to form novel fluorescent dyes. 4-Amino-2,1,3-benzothiadiazole forms dicopper complexes.