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Mecoprop
MCPP · Hymec · U46(R) · MCPP(R) · MEPRO(R) · MECOPROP · ACTRIL M · COMPITOX
식별자 및 물리적 특성
| CAS No. | 7085-19-0 |
|---|---|
| 분자식 | C10H11ClO3 |
| 평균 분자량 | 214.64 g/mol |
| 단동위원소 질량 | 214.0396719 g/mol |
| SMILES | Cc1cc(Cl)ccc1OC(C)C(=O)O |
| InChIKey | WNTGYJSOUMFZEP-UHFFFAOYSA-N |
| PubChem CID | 7153 |
| ChEMBL | CHEMBL272942 |
| ChEBI | CHEBI:75704 |
| EC No. | 202-264-4 |
| DTXSID | DTXSID9024194 |
화학 및 물리적 성질
| XLogP | 3.1 |
|---|---|
| 극성 표면적 | 46.5 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 14 |
| 형식 전하 | 0 |
| 복잡도 | 208 |
| LogP(분배 계수) | log Kow = 3.131.17 |
| 냄새 | Odorless |
| 밀도 | 1.28 g/cm³1.2413 (rough estimate) |
| Color/Form | Colorless crystalsSolid |
| 용해도 | Solubility of its salts in water: diethanolamine 580, dimethyalmine 660 (all in g/L, 20 °C) /Mecoprop salts/In water, 880 mg/L at 25 °CInsoluble in waterIn acetone, diethyl ether, ethanol > 1000ethyl acetate 825chloroform: 339 (all in g/kg, 20 °C)Soluble in alcohol, acetone, etherSolubility in water, g/100ml at 25 °C: 0.07 |
| Corrosivity | CORROSIVE TO METALS IN PRESENCE OF MOISTURE |
| Decomposition | Hazardous decomposition products formed under fire conditions - Carbon oxides, hydrogen chloride gas.Decomposes on heating. This produces toxic fumes including hydrogen chloride.When heated to decomposition it emits toxic fumes of /chloride/. |
| 녹는점 | 93-95 °CMP: 93-94 °C93-94° |
| 증기압 | 0.0000023 [mmHg]1.6 mPa (1.2X10-5 mm Hg) at 25 °CVapor pressure, Pa at 22.5 °C: 0.08 |
| Physical Description | Mecoprop appears as colorless crystals. Corrosive to metals. Used as an herbicide.Colorless to brown solid[ICSC] Tan powder with lumps[MSDSonline]COLOURLESS-TO-BROWN CRYSTALLINE POWDER. |
| Stability/Shelf Life | Stable under recommended storage conditions.Stable to heat, and to hydrolysis, reduction, and atmospheric oxidation. |
| Dissociation Constants | 3.21pKa = 3.78pKa = 3.21pKa = 3.1 |
| 끓는 점 | 308.11°C (rough estimate) |
| 굴절률 | 1.5390 (estimate) |
| 인화점 | 100 °C |
| 저장 조건 | 2-8°C |
| InChI | InChI=1S/C10H11ClO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13) |
| InChIKey | WNTGYJSOUMFZEP-UHFFFAOYSA-N |
| SMILES | C1(C=CC(Cl)=CC=1C)OC(C)C(=O)O |
| LogP(분배 계수) | 3.130 |
화학적 성질
Mecoprop is a colorless, crystalline solid. Odorless.
안전 및 규제
| GHS 분류 | DangerH302: Harmful if swallowed [Warning Acute toxicity, oral]H315: Causes skin irritation [Warning Skin corrosion/irritation]H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P332+P317, P362+P364, P391, and P501 (click each P-code to see the statement) |
|---|---|
| 규제 정보 | Commission Regulation No 844/201203/70/EC, Reg (EU) 2015/408, Reg. (EU) 2022/801, Reg. (EU) No 540/2011, Reg. (EU) No 823/2012Status: Active Update: 21-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/19807Mecoprop: HSNO Approval: HSR003312 Approved with controlsThe 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.) |
| 기타 안전 정보 | IMAP assessments - Propanoic acid, 2-(4-chloro-2-methylphenoxy)-: Environment tier I assessmentIMAP assessments - Propanoic acid, 2-(4-chloro-2-methylphenoxy)-: Human health tier I assessment |
| 운송 라벨(DOT) | Poison |
| 화재 위험 | Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:Non-combustible, substance itself does not burn but may decompose upon heating to produce corrosive and/or toxic fumes. Some are oxidizers and may ignite combustibles (wood, paper, oil, clothing, etc.). Corrosives in contact with metals may evolve flammable hydrogen gas. Containers may explode when heated. For electric vehicles or equipment, ERG Guide 147 (lithium ion or sodium ion batteries) or ERG Guide 138 (sodium batteries) should also be consulted. (ERG, 2024)Not combustible. Liquid formulations containing organic solvents may be flammable. Gives off irritating or toxic fumes (or gases) in a fire. |
| 화재 가능성 | Not combustible. Liquid formulations containing organic solvents may be flammable.Noncombustible, nonflammable. |