Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HCID 87302생성일: 2026년 10월 27일
2-히드록시-4-(메틸티오)부티로니트릴
2-히드록시-4-(메틸티오)부티로니트릴 · 2-Hydroxy-4-(methylthio)butanenitrile · Adenosyl Methionine Impurity 11 · 2-hydroxy-4-(methylthio)butyronitrile · Butanenitrile, 2-hydroxy-4-(methylthio)- · 2-Hydroxy-4-(methylmercapto)-butyronitrile
https://huagongshe.com/ko/chemical/87302
식별자 및 물리적 특성
| CAS No. | 17773-41-0 |
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| 분자식 | C5H9NOS |
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| 평균 분자량 | 131.2 g/mol |
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| 단동위원소 질량 | 131.04048508 g/mol |
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| SMILES | CSCCC(O)C#N |
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| InChIKey | VWWOJJANXYSACS-UHFFFAOYSA-N |
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| PubChem CID | 87302 |
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| EC No. | 241-756-3 |
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| DTXSID | DTXSID80884986 |
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| 현지명 | 2-히드록시-4-(메틸티오)부티로니트릴 |
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화학 및 물리적 성질
| XLogP | 0.4 |
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| 극성 표면적 | 69.3 |
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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 | 3 |
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| 무거운 원자 수 | 8 |
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| 형식 전하 | 0 |
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| 복잡도 | 95 |
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| 끓는 점 | 279.6±25.0 °C(Predicted) |
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| 밀도 | 1.128±0.06 g/cm3(Predicted) |
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| 증기압 | 0.075Pa at 24.85℃ |
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| pKa(산도 계수) | 11.01±0.20(Predicted) |
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| 용해도 | 110g/L at 25℃ |
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| LogP(분배 계수) | -0.62 at 20℃ |
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| EPA | Butanenitrile, 2-hydroxy-4-(methylthio)- (17773-41-0) |
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안전 및 규제
| GHS 분류 | DangerH300+H330 (100%): Fatal if swallowed or if inhaled [Danger Acute toxicity, oralacute toxicity, inhalation]H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H330 (100%): Fatal if inhaled [Danger Acute toxicity, inhalation]H401 (100%): Toxic to aquatic life [Hazardous to the aquatic environment, acute hazard]H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P260, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P304+P340, P305+P351+P338, P316, P320, P321, P330, P337+P317, P391, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| 규제 정보 | Status: Active Update: 06-02-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/10238 |
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| Hazard Classes and Categories | Acute Tox. 2 (100%)Eye Irrit. 2 (100%)Aquatic Chronic 2 (100%) |
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| TSCA 등재 상태 | TSCA listed |
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