Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
1H-1,2,4-트리아졸-3,5-디아민
1H-1,2,4-트리아졸-3,5-디아민 · 3,5-DIAMINO-1,2,4-TRIAZOLE · GUANAZOLE · 4H-1,2,4-TRIAZOLE-3,5-DIAMINE · nsc1895 · MC 51762 · NSC 1895 · NCI-C04819
식별자 및 물리적 특성
| CAS No. | 1455-77-2 |
|---|---|
| 분자식 | C2H5N5 |
| 평균 분자량 | 99.1 g/mol |
| 단동위원소 질량 | 99.05449516 g/mol |
| SMILES | Nc1n[nH]c(N)n1 |
| InChIKey | PKWIYNIDEDLDCJ-UHFFFAOYSA-N |
| PubChem CID | 15078 |
| ChEMBL | CHEMBL56973 |
| ChEBI | CHEBI:75425 |
| EC No. | 215-937-2 |
| DTXSID | DTXSID0025367 |
| 현지명 | 1H-1,2,4-트리아졸-3,5-디아민 |
화학 및 물리적 성질
| XLogP | -0.7 |
|---|---|
| 극성 표면적 | 93.6 |
| 수소 결합 공여자 수 | 3 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 7 |
| 형식 전하 | 0 |
| 복잡도 | 63.1 |
| 용해도 | Soluble (NTP, 1992)H2O: 용액이 투명에서 탁함으로 변경됩니다. |
| 녹는점 | 399 to 403 °F (Decomposes) (NTP, 1992)202-205 °C (lit.) |
| Physical Description | Guanazole appears as colorless crystals. (NTP, 1992) |
| 끓는 점 | 473.7±28.0 °C(Predicted) |
| 밀도 | 1.686±0.06 g/cm3(Predicted) |
| 굴절률 | 1.7330 (estimate) |
| 저장 조건 | Keep in dark place,Inert atmosphere,2-8°C |
| 물리적 상태 | 가루 |
| pKa(산도 계수) | 12.10±0.40(Predicted) |
| 색상 | 하얀색 |
| 용해도 | 물에 용해됩니다. |
| BRN | 112467 |
| 안정성 | 안정성 공기에 민감함. 산 및 산화제와 반응합니다. |
| InChI | 1S/C2H5N5/c3-1-5-2(4)7-6-1/h(H5,3,4,5,6,7) |
| InChIKey | PKWIYNIDEDLDCJ-UHFFFAOYSA-N |
| SMILES | Nc1n[nH]c(N)n1 |
| NIST | 3,5-Diamino-1,2,4-triazole(1455-77-2) |
| EPA | Guanazole (1455-77-2) |
화학적 성질
colourless crystals or faintly yellow powder
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 31% (53 of 171) of reports.WarningH302+H312+H332 (16.4%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 171 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Status: Active Update: 12-12-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/242311H-1,2,4-Triazole-3,5-diamine: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| 화재 위험 | Flash point data for this chemical are not available. It is probably combustible. (NTP, 1992) |
| 건강 유해성 | SYMPTOMS: This chemical is stable under normal laboratory conditions. (NTP, 1992) |
| 반응성 그룹 | Amines, Phosphines, and Pyridines |
| Reactivity Alerts | Explosive |
| Reactivity Profile | The triazoles, of which GUANAZOLE is a member, are a group of highly explosive materials that are sensitive to heat, friction, and impact. Sensitivity varies with the type of substitution to the triazole ring. The amine substituted derivatives, guanazole, tend not to be explosion sensitive. Metal chelated and halogen substitution of the triazol ring make for a particularly heat sensitive material. Azido and nitro derivatives have been employed as high explosives. No matter the derivative these materials should be treated as explosives. GUANAZOLE forms salts readily with acids. (NTP, 1992) |
| Air and Water Reactions | This compound is sensitive to air. Dust can be explosive when suspended in air at specific concentrations. Water soluble. |
| Hazard Classes and Categories | Acute Tox. 4 (67.8%) |
용도
일반 설명
Colorless crystals.