識別子と物理属性
| CAS No. | 507-20-0 |
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| 分子式 | C4H9Cl |
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| 平均分子量 | 92.57 g/mol |
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| 単同位体質量 | 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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化学・物理的性質
| XLogP | 1.8 |
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| 極性表面積 | 0 |
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| 水素結合供与体数 | 0 |
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| 水素結合受容体数 | 0 |
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| 回転可能結合数 | 0 |
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| 重原子数 | 5 |
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| 形式電荷 | 0 |
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| 複雑度 | 25.1 |
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| 物質分類 | 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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| 農薬 | Pesticide -> EPA IRIS |
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| LogP（分配係数） | 1.82 |
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| 密度 | 0.87 @25 °C0.8511 g/cm3 |
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| 沸点 | 50.9 °C @760 [mm Hg] |
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| 蒸気圧 | 302.0 [mmHg] |
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| Physical Description | Liquid[Merck Index] Hygroscopic liquid[Sigma-Aldrich MSDS] |
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| 融点 | -26 °C |
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安全性と法規制
| GHS 分類 | 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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| 規制情報 | 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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| 有害性の概要 | 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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| 有害作用 | Neurotoxin - Acute solvent syndrome |
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| EPA IRIS Information | t-Butylchloride |
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