O-클로로페놀
2-클로로페놀 · O-클로로페놀 · 2-하이드록시클로로벤젠 · 1-클로로-2-하이드록시벤젠 · o-클로로페놀(o-CHLOROPHENOL) · ORTHO CHLORO PHENOL · O-CHLOROPHENOL · Phenol, 2-chloro-
식별자 및 물리적 특성
| CAS No. | 25167-80-0 |
|---|---|
| 분자식 | C6H5ClO |
| 평균 분자량 | 128.55 g/mol |
| 단동위원소 질량 | 128.00289246 g/mol |
| SMILES | Oc1ccccc1Cl |
| InChIKey | ISPYQTSUDJAMAB-UHFFFAOYSA-N |
| PubChem CID | 7245 |
| ChEMBL | CHEMBL108877 |
| ChEBI | CHEBI:47083 |
| EC No. | 202-433-2 |
| DTXSID | DTXSID5021544 |
| 현지명 | O-클로로페놀 |
화학 및 물리적 성질
| XLogP | 2.1 |
|---|---|
| 극성 표면적 | 20.2 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 8 |
| 형식 전하 | 0 |
| 복잡도 | 74.9 |
| 물질 분류 | Other Classes -> ChlorophenolsFlammable agents - 2nd degreeSemi-Volatile Organic Compound (SVOC) |
| 의약품 | Pharmaceuticals -> Listed in ZINC15 |
| pH | weakly acidic |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| 농약 | Pesticide -> EPA IRIS |
| LogP(분배 계수) | log Kow = 2.15 |
| 냄새 | Unpleasant penetrating odorCarbolic odor |
| 맛 | Strong medicinal taste and odor |
| 밀도 | 1.25 at 77 °F (USCG, 1999) - Denser than waterwill sink1.2634 at 20 °C/4 °CRelative density (water = 1): 1.31.257 @ 23°C1.241 g/mL at 25 °C (lit.) |
| Viscosity | 3.579 cP at 25 °C |
| Color/Form | Light amber liquidColorless to yellow brown liquid |
| 용해도 | 10 to 50 mg/mL at 59 °F (NTP, 1992)Sol in ethanol, ethyl etherslightly soluble in chloroformvery sol in benzeneSol in aqueous sodium hydroxide, alcohol, ether2.85 PARTS SOL IN 100 PARTS WATER @ 20 °CFreely soluble in alcohol, ether, caustic alkali solutionsFor more Solubility (Complete) data for 2-CHLOROPHENOL (6 total), please visit the HSDB record page.알코올: 자유롭게 용해됨 |
| 녹는점 | 8 °C (lit.) |
| 끓는 점 | 175-176 °C (lit.) |
| 증기압 | 13.3 hPa (50 °C) |
| 굴절률 | n20/D 1.558(lit.) |
| 인화점 | 147 °F |
| 저장 조건 | under inert gas (Argon) |
| pKa(산도 계수) | 8.49(at 25℃) |
| 물리적 상태 | liquid |
| 색상 | 무색투명~연한 오렌지색 |
| 용해도 | 28.5g/L(20℃) |
| 비열 | Cp(liquid): 1.47 J/(g·K), at 25℃ |
| Merck | 14,2154 |
| BRN | 1905114 |
| 헨리 상수 | 6.44 x 10-6 atmm3/mol at 20 °C (Sheikheldin et al., 2001) |
| 유전율 | 8.2(19℃) |
| 안정성 | 안정적인. 흡습성. 타기 쉬운. 산화제, 산 무수물, 산 염화물과 호환되지 않습니다. |
| 주요 응용 | 농업환경 |
| InChI | 1S/C6H5ClO/c7-5-3-1-2-4-6(5)8/h1-4,8H |
| InChIKey | ISPYQTSUDJAMAB-UHFFFAOYSA-N |
| SMILES | Oc1ccccc1Cl |
| LogP(분배 계수) | 2.18 at 20℃ |
| NIST | 2-Chlorophenol(95-57-8) |
| EPA | o-Chlorophenol (95-57-8) |
화학적 성질
2-Chlorophenol is a colourless to light brown liquid, All isomers have a characteristic odor. Slightly soluble in water, soluble in ethanol, ether and alkali solution. It is used to make dyes and other chemicals, and as a disinfectant, bactericide, and germicide.
안전 및 규제
| GHS 분류 | WarningH302: Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P391, and P501 (click each P-code to see the statement) |
|---|---|
| 규제 정보 | Chemical: Phenol, 2-chloro-Hazard Traits - Reproductive ToxicityTP - indicates a substance that is the subject of a proposed TSCA section 4 test rule.Status: Active Update: 01-03-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/190312-Chlorophenol: 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.) |
| 운송 라벨(DOT) | Poison |
| 화재 위험 | Special Hazards of Combustion Products: Contain poisonous chloride fumes.Combustible. Gives off irritating or toxic fumes (or gases) in a fire. Above 64 °C explosive vapour/air mixtures may be formed. |
| 화재 가능성 | Combustible liquid.MODERATE, WHEN EXPOSED TO HEAT, FLAMES OR OXIDIZERS |
| 건강 유해성 | Poisonousmay be fatal if inhaled, swallowed or absorbed through skin. Irritating to skin and eyesdirect contact may cause burns. Rats receiving lethal doses via oral, subcutaneous or intraperitoneal routes displayed similar symptoms: restlessness, increased breathing rate and motor weakness followed by tremors, chronic convulsions, dyspnea, coma and death. (USCG, 1999) |
| 유해성 요약 | A severe skin, eye, and respiratory tract irritantMay cause pulmonary edemaInhalation may cause CNS effects[ICSC] May be fatal by inhalation, ingestion, and skin absorption[CAMEO] Corrosive to skin and eyes based on animal studies[CHEMINFO] A strong irritant that may cause burns to skin and eyesInhalation may cause liver and kidney injury[CHRIS] Causes burnsInhalation may cause corrosive injuries to upper respiratory tract and lungs |
용도
일반 설명
2-chlorophenol appears as a colorless to amber liquid with an unpleasant, penetrating odor. Density 1.265 g / cm3. Sinks in water and slowly dissolves. Freezing point 7°C (46°F). Boiling point 175°C (347°F).
제조 및 합성 방법
제조 방법
2-chlorophenol is produced in 22% yields from the reaction of chlorine monoxide with phenol in carbon tetrachloride: 0.5 mole of tert-butyl hypochlorite is dropped, with stirring, into a solution or suspension of the 0.5 mole of phenol in 150-300 ml of carbon tetrachloride, the temperature being allowed to rise to the boiling point of the solvent. The mixture is then boiled under reflux for a further 2 hours, the carbon tetrachloride and the tert-butyl alcohol are distilled off, and the residue is fractionated collecting fraction boiling at 174.9 °C.