識別子と物理属性
| CAS No. | 99-63-8 |
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| 分子式 | C8H4Cl2O2 |
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| 平均分子量 | 203.02 g/mol |
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| 単同位体質量 | 201.95883473 g/mol |
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| SMILES | O=C(Cl)c1cccc(C(=O)Cl)c1 |
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| InChIKey | FDQSRULYDNDXQB-UHFFFAOYSA-N |
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| PubChem CID | 7451 |
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| ChEMBL | CHEMBL1885739 |
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| EC No. | 202-774-7 |
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| DTXSID | DTXSID3026641 |
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化学・物理的性質
| XLogP | 3.6 |
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| 極性表面積 | 34.1 |
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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 | 2 |
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| 回転可能結合数 | 2 |
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| 重原子数 | 12 |
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| 形式電荷 | 0 |
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| 複雑度 | 183 |
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| 物質分類 | Toxic Gases & Vapors -> Other Toxic Gases & Vapors |
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| SpringerMaterials Properties | Boiling point |
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| 密度 | 1.3880 @ 17 °C/4 °C |
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| Color/Form | CRYSTALLINE SOLIDPRISMS FROM ETHER |
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| 溶解度 | SOL IN ETHER & OTHER ORG SOLVENTSSLIGHTLY SOL IN WATER & ALCOHOL |
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| 引火点 | 356 °F OC |
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| 沸点 | 276 °C |
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| 融点 | 43-44 °C |
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| Food Contact Substances | FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR |
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| 屈折率 | INDEX OF REFRACTION: 1.570 @ 47 °C/D |
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| Physical Description | Large CrystalsDry PowderSolid[Hawley] White crystalline solid[MSDSonline] |
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| Other Experimental Properties | REACTIVE WITH WATER & ALCOHOL |
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安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 0.4% (1 of 269) of reports.DangerH312 (99.6%): Harmful in contact with skin [Warning Acute toxicity, dermal]P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 269 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| 規制情報 | Chemical: 1,3-Benzenedicarbonyl dichlorideRegulation (EC) No 1935/2004 (amended)1,3-Benzenedicarbonyl dichloride is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Benzenedicarbonyl dichloride are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 07-05-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/13191Isophthaloyl dichloride: Does not have an individual approval but may be used under an appropriate group standard |
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| 有害性の概要 | Reacts with water[Hawley] A skin and eye irritant[HSDB] Evolves HCl upon reaction with waterA moderate to severe skin irritant[CHEMINFO] A corrosive substance that can cause injury to the skin, eyes, and respiratory tractInhalation may cause edema and chemical pneumonitis[MSDSonline] |
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| Hazard Classes and Categories | Acute Tox. 4 (99.6%)Acute toxicity (Dermal) - Category 4 |
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| 有害作用 | Dermatotoxin - Skin burns. |
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| Human Toxicity Excerpts | IRRITANT TO EYES & SKIN. |
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| Toxicity Data | LC (rat) > 31,000 mg/m3/4h |
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| 注意喚起語 | 危険 |
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| 危険有害性情報 | コード 危険有害性情報 危険有害性クラス 区分 注意喚起語 シンボル P コード H312 |
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