Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
2,6-디아미노-4-클로로피리미딘
2,6-디아미노-4-클로로피리미딘 · 4-클로로-2,6-다이아미노피리미딘 · 2,4-DIAMINO-6-CHLOROPYRIMIDINE · 6-CHLORO-PYRIMIDINE-2,4-DIAMINE · NSC 8818 · JACS-156-83-2 · TIMTEC-BB SBB004123 · 4-Chloro-2,6-diamino
식별자 및 물리적 특성
| CAS No. | 156-83-2 |
|---|---|
| 분자식 | C4H5ClN4 |
| 평균 분자량 | 144.56 g/mol |
| 단동위원소 질량 | 144.0202739 g/mol |
| SMILES | Nc1cc(Cl)nc(N)n1 |
| InChIKey | QJIUMVUZDYPQRT-UHFFFAOYSA-N |
| PubChem CID | 67432 |
| ChEMBL | CHEMBL4517551 |
| ChEBI | CHEBI:137231 |
| EC No. | 205-863-9 |
| DTXSID | DTXSID30166022 |
| 현지명 | 2,6-디아미노-4-클로로피리미딘 |
화학 및 물리적 성질
| XLogP | 0.5 |
|---|---|
| 극성 표면적 | 77.8 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 9 |
| 형식 전하 | 0 |
| 복잡도 | 98 |
| 녹는점 | 199-202 °C(lit.) |
| 끓는 점 | 199-202 °C |
| 밀도 | 1.3966 (rough estimate) |
| 증기압 | 0.0±1.1 mmHg at 25°C |
| 굴절률 | 1.702 |
| 인화점 | 218.9±29.6 °C |
| 저장 조건 | Keep in dark place,Sealed in dry,Room Temperature |
| 용해도 | 물에 약간 용해됨 |
| pKa(산도 계수) | 3.66±0.10(Predicted) |
| 물리적 상태 | 고체 |
| 색상 | 흰색에서 연한 노란색 |
| 용해도 | 약간 용해됨 |
| BRN | 118455 |
| InChI | InChI=1S/C4H5ClN4/c5-2-1-3(6)9-4(7)8-2/h1H,(H4,6,7,8,9) |
| InChIKey | QJIUMVUZDYPQRT-UHFFFAOYSA-N |
| SMILES | C1(N)=NC(Cl)=CC(N)=N1 |
| NIST | Pyrimidine, 6-chloro-2,4-diamino-(156-83-2) |
화학적 성질
White Cyrstalline Solid
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 1.7% (1 of 60) of reports.WarningH302 (85%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (86.7%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (86.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (85%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 60 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 1 of 60 reports by companies.There are 14 notifications provided by 59 of 60 reports by companies with hazard statement code(s).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 | Status: Active Update: 02-03-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/172652,4-Diamino-6-chloropyrimidine: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (85%)Skin Irrit. 2 (86.7%)Eye Irrit. 2 (86.7%)STOT SE 3 (85%) |
| 수질 위해 등급(WGK) | 3 |
| 관세 코드 | 29335995 |
| 위험 문구(R) | 22-36/37/38 |
| 위험 표시 | Xn,Xi |
| 안전 문구(S) | 26-24/25 |
| 기존화학 물질 | 2014-3-5868 |
| 위험 참고 사항 | Irritant |
| 위험 등급 | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
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