식별자 및 물리적 특성
| CAS No. | 507-20-0 |
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| 분자식 | C4H9Cl |
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| 평균 분자량 | 92.57 g/mol |
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| 단동위원소 질량 | 92.03927797 g/mol |
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| SMILES | CC(C)(C)Cl |
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| InChIKey | NBRKLOOSMBRFMH-UHFFFAOYSA-N |
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| PubChem CID | 10486 |
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| ChEMBL | CHEMBL346997 |
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| EC No. | 208-066-4 |
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| DTXSID | DTXSID2023937 |
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화학 및 물리적 성질
| XLogP | 1.8 |
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| 극성 표면적 | 0 |
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| 수소 결합 공여자 수 | 0 |
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| 수소 결합 수용자 수 | 0 |
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| 회전 가능 결합 수 | 0 |
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| 무거운 원자 수 | 5 |
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| 형식 전하 | 0 |
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| 복잡도 | 25.1 |
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| 물질 분류 | Flammable agents - 3rd degree |
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| Solvents | Solvents -> Chlorinated Aliphatics |
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| SpringerMaterials Properties | Dunham energy parameter |
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| 농약 | Pesticide -> EPA IRIS |
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| LogP(분배 계수) | 1.82 |
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| 밀도 | 0.87 @25 °C0.8511 g/cm3 |
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| 끓는 점 | 50.9 °C @760 [mm Hg] |
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| 증기압 | 302.0 [mmHg] |
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| Physical Description | Liquid[Merck Index] Hygroscopic liquid[Sigma-Aldrich MSDS] |
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| 녹는점 | -26 °C |
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안전 및 규제
| GHS 분류 | DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 93 reports by companies from 5 notifications to the ECHA C&L Inventory.H225: Highly Flammable liquid and vapor [Danger Flammable liquids] |
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| 규제 정보 | Chemical: Propane, 2-chloro-2-methyl-Status: Active Update: 10-02-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/238072-Chloro-2-methylpropane: Does not have an individual approval but may be used under an appropriate group standardThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
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| 유해성 요약 | Symptoms possibly indicative of neurotoxicity (disturbed coordination, reduced motility, hunched posture, etc.) observed in oral lethal-dose study of rats[EPA - TSCATS] May cause irritation[Sigma-Aldrich MSDS] See 2-Chlorobutane and n-Butyl chloride. |
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| Hazard Classes and Categories | Flam. Liq. 2 (100%)Flammable liquids - Category 2Flammable agents - 3rd degree |
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| Protective Action Criteria (PAC) | 8.7 [mg/m3]96 [mg/m3]570 [mg/m3] |
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| 유해 작용 | Neurotoxin - Acute solvent syndrome |
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| EPA IRIS Information | t-Butylchloride |
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