1,3,5-트리아진
1,3,5-트리아진 · TRIAZINE · S-TRIAZINE · Triazin(sym.) · 1,3,5-Triazin · Triazin · Cyanidine · sym-Triazine
식별자 및 물리적 특성
| CAS No. | 290-87-9 |
|---|---|
| 분자식 | C3H3N3 |
| 평균 분자량 | 81.08 g/mol |
| 단동위원소 질량 | 81.03269711 g/mol |
| SMILES | c1ncncn1 |
| InChIKey | JIHQDMXYYFUGFV-UHFFFAOYSA-N |
| PubChem CID | 9262 |
| ChEMBL | CHEMBL15698 |
| ChEBI | CHEBI:30259 |
| EC No. | 206-028-1 |
| DTXSID | DTXSID7052785 |
| 현지명 | 1,3,5-트리아진 |
화학 및 물리적 성질
| XLogP | 0 |
|---|---|
| 극성 표면적 | 38.7 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 6 |
| 형식 전하 | 0 |
| 복잡도 | 21 |
| Kovats Retention Index | 663 |
| 녹는점 | 77-83 °C (dec.)(lit.) |
| 끓는 점 | 114°C |
| 밀도 | 1,38 g/cm3 |
| 굴절률 | 1.5060 (estimate) |
| 인화점 | 114°C |
| 저장 조건 | Inert atmosphere,Room Temperature |
| 용해도 | 메탄올: 0.1 g/mL, 투명 |
| pKa(산도 계수) | 2.07±0.10(Predicted) |
| 물리적 상태 | powder to crystal |
| 색상 | White to Orange to Green |
| Merck | 14,9602 |
| BRN | 104790 |
| NIST | 1,3,5-Triazine(290-87-9) |
화학적 성질
White crystal
안전 및 규제
| GHS 분류 | DangerH302 (97.8%): Harmful if swallowed [Warning Acute toxicity, oral]H314 (13%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H315 (87%): Causes skin irritation [Warning Skin corrosion/irritation]H318 (89.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H335 (87%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H360 (15.2%): May damage fertility or the unborn child [Danger Reproductive toxicity]P203, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P319, P321, P330, P332+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 6 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. |
|---|---|
| 규제 정보 | Chemical: 1,3,5-Triazine1,3,5-Triazine: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (97.8%)Skin Corr. 1B (13%)Skin Irrit. 2 (87%)Eye Dam. 1 (89.1%)STOT SE 3 (87%)Repr. 1B (15.2%) |
| 수질 위해 등급(WGK) | 3 |
| RTECS 번호 | XY2957000 |
| 운송 번호(UN) | UN2928 |
| 관세 코드 | 29339900 |
| 위험 문구(R) | 22-37/38-41-34 |
| 위험 표시 | Xn,C |
| 안전 문구(S) | 22-24/25-39-26-45-36/37/39-27 |
| 포장분류 | II |
| 위험 등급 | 6.1 |
용도
용도
1,3,5-Triazine is a reagent in oxidation reactions, in synthesis of heterocycles. Triazine derivatives are used as herbicides, pharmaceuticals, complexation agents, peptidomimetic building blocks, and dyes.
제조 및 합성 방법
제조 방법
Symmetrical 1,3,5-triazines are prepared by trimerization of certain nitriles such as cyanogen chloride or cyanimide. Benzoguanamine (with one phenyl and 2 amino substituents) is synthesised from benzonitrile and dicyandiamide. In the Pinner triazine synthesis (named after Adolf Pinner) the reactants are an alkyl or aryl amidine and phosgene. Insertion of an N-H moiety into a hydrazide by a copper carbenoid, followed by treatment with ammonium chloride also gives the triazine core.Amine-substituted triazines called Guanamines are prepared by the condensation of cyanoguanidine with the corresponding nitrile:(H2N)2C=NCN + RCN → (CNH2)2(CR)N3