식별자 및 물리적 특성
| CAS No. | 99-63-8 |
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| 분자식 | C8H4Cl2O2 |
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| 평균 분자량 | 203.02 g/mol |
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| 단동위원소 질량 | 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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화학 및 물리적 성질
| XLogP | 3.6 |
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| 극성 표면적 | 34.1 |
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| 수소 결합 공여자 수 | 0 |
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| 수소 결합 수용자 수 | 2 |
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| 회전 가능 결합 수 | 2 |
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| 무거운 원자 수 | 12 |
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| 형식 전하 | 0 |
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| 복잡도 | 183 |
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| 물질 분류 | Toxic Gases & Vapors -> Other Toxic Gases & Vapors |
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| SpringerMaterials Properties | Boiling point |
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| 밀도 | 1.3880 @ 17 °C/4 °C |
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| Color/Form | CRYSTALLINE SOLIDPRISMS FROM ETHER |
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| 용해도 | SOL IN ETHER & OTHER ORG SOLVENTSSLIGHTLY SOL IN WATER & ALCOHOL |
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| 인화점 | 356 °F OC |
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| 끓는 점 | 276 °C |
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| 녹는점 | 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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| 굴절률 | 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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안전 및 규제
| GHS 분류 | 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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| 규제 정보 | 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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| 유해성 요약 | 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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| 유해 작용 | 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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| 신호 어 | Danger |
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| 유해·위험 문구 | 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H312 |
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