Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HCID 720669생성일: 2026년 10월 26일
5-아미노프탈라이드
5-아미노프탈라이드 · Roxadustat-002 · Einecs 265-731-1 · 5-Aminophthliade · 5-AMINOPHTHALIDE · Aminophthalide,5- · TIMTEC-BB SBB007358 · 5-Aminophthalide ,98%
https://huagongshe.com/ko/chemical/720669
식별자 및 물리적 특성
| CAS No. | 65399-05-5 |
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| 분자식 | C8H7NO2 |
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| 평균 분자량 | 149.15 g/mol |
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| 단동위원소 질량 | 149.04767847 g/mol |
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| SMILES | Nc1ccc2c(c1)COC2=O |
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| InChIKey | ISMUWQMUWFPFBZ-UHFFFAOYSA-N |
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| PubChem CID | 720669 |
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| ChEMBL | CHEMBL1493900 |
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| EC No. | 265-731-1 |
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| DTXSID | DTXSID90215707 |
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| 현지명 | 5-아미노프탈라이드 |
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화학 및 물리적 성질
| XLogP | 0.1 |
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| 극성 표면적 | 52.3 |
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| 수소 결합 공여자 수 | 1 |
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| 수소 결합 수용자 수 | 3 |
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| 회전 가능 결합 수 | 0 |
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| 무거운 원자 수 | 11 |
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| 형식 전하 | 0 |
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| 복잡도 | 181 |
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| 용해도 | 22.2 [ug/mL] (The mean of the results at pH 7.4) |
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| 녹는점 | 178 °C |
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| 끓는 점 | 438.6±45.0 °C(Predicted) |
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| 밀도 | 1.376±0.06 g/cm3(Predicted) |
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| 저장 조건 | under inert gas (nitrogen or Argon) at 2–8 °C |
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| 물리적 상태 | 고체 |
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| pKa(산도 계수) | 2.10±0.20(Predicted) |
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| InChI | InChI=1S/C8H7NO2/c9-6-1-2-7-5(3-6)4-11-8(7)10/h1-3H,4,9H2 |
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| InChIKey | ISMUWQMUWFPFBZ-UHFFFAOYSA-N |
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| SMILES | C1(=O)C2=C(C=C(N)C=C2)CO1 |
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안전 및 규제
| GHS 분류 | DangerH301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral]H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H412 (33.3%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, 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 3 reports by companies from 2 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. |
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| Hazard Classes and Categories | Acute Tox. 3 (33.3%)Aquatic Chronic 3 (33.3%) |
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| 수질 위해 등급(WGK) | WGK 3 |
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| 관세 코드 | 2932990090 |
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| 위험 문구(R) | 22-52 |
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| 위험 표시 | Xi,Xn |
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| 위험 등급 | IRRITANTAcute Tox. 3 OralAquatic Chronic 3 |
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| 저장 분류 | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
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