Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
반응성오렌지12
반응성오렌지12 · C.I.Reactive Orange 12:C.I.13248 · 7-[4-[(4-Amino-6-chloro-1,3,5-triazine-2-yl)amino]-2-(aminocarbonylamino)phenylazo]naphthalene-1,3,6-trisulfonic acid · 7-[[2-[(Aminocarbonyl)amino]-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]azo]-1,3,6-naphthalenetrisulfonic acid · 7-[[2-[(aminocarbonyl)amino]-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]azo]naphthalene-1,3,6-trisulphonic acid · 1,3,6-Naphthalenetrisulfonic acid, 7-[2-[2-[(aminocarbonyl)amino]-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]diazenyl]-
식별자 및 물리적 특성
| CAS No. | 35642-64-9 |
|---|---|
| 분자식 | C20H16ClN9O10S3 |
| 평균 분자량 | 674 g/mol |
| 단동위원소 질량 | 672.98707839 g/mol |
| SMILES | NC(=O)Nc1cc(Nc2nc(N)nc(Cl)n2)ccc1N=Nc1cc2c(S(=O)(=O)O)cc(S(=O)(=O)O)cc2cc1S(=O)(=O)O |
| InChIKey | GFPPLTJOYVDEIS-UHFFFAOYSA-N |
| PubChem CID | 94656 |
| EC No. | 252-652-2 |
| DTXSID | DTXSID70867869 |
| 현지명 | 반응성오렌지12 |
화학 및 물리적 성질
| XLogP | 0.3 |
|---|---|
| 극성 표면적 | 345 |
| 수소 결합 공여자 수 | 7 |
| 수소 결합 수용자 수 | 17 |
| 회전 가능 결합 수 | 8 |
| 무거운 원자 수 | 43 |
| 형식 전하 | 0 |
| 복잡도 | 1,370 |
| 밀도 | 2.07±0.1 g/cm3(Predicted) |
| 증기압 | 0Pa at 25℃ |
| pKa(산도 계수) | -1.10±0.40(Predicted) |
| 용해도 | 1000g/L at 25℃ |
| LogP(분배 계수) | -0.66 at 25℃ |
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 83.3% (5 of 6) of all reports.WarningH317 (16.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. |
|---|---|
| 규제 정보 | Chemical: 1,3,6-Naphthalenetrisulfonic acid, 7-[[2-[(aminocarbonyl)amino]-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]azo]-REACH registered substance: 7-[[2-[(aminocarbonyl)amino]-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]azo]naphthalene-1,3,6-trisulphonic acid (EC: 252-652-2) |
| 기타 안전 정보 | IMAP assessments - 1,3,6-Naphthalenetrisulfonic acid, 7-[[2-[(aminocarbonyl)amino]-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]azo]-: Human health tier I assessment |
| Hazard Classes and Categories | Skin Sens. 1 (16.7%) |
제조 및 합성 방법
제조 방법
7-Aminonaphthalene-1,3,5-trisulfonic acid diazo, and N-(3-aminophenyl)acetamide coupling, and 2,4,6-Trichloro-1,3,5-triazine condensation, and then four and salting-out.