Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
2,4,6-트리클로로페놀
2,4,6-트리클로로페놀 · 2,4,6-트라이클로로페놀 · 2,4,6-TCP · Phenol, 2,4,6-trichloro- · 2,4,6-TrichL · 2,4,6-Trichlorophenol (2,4,6-Tcp) · OMAL · 2,4,6 T
식별자 및 물리적 특성
| CAS No. | 88-06-2 |
|---|---|
| 분자식 | C6H3Cl3O |
| 평균 분자량 | 197.4 g/mol |
| 단동위원소 질량 | 195.92494776 g/mol |
| SMILES | Oc1c(Cl)cc(Cl)cc1Cl |
| InChIKey | LINPIYWFGCPVIE-UHFFFAOYSA-N |
| PubChem CID | 6914 |
| ChEMBL | CHEMBL309917 |
| ChEBI | CHEBI:28755 |
| EC No. | 201-795-9 |
| DTXSID | DTXSID5021386 |
| 현지명 | 2,4,6-트리클로로페놀 |
화학 및 물리적 성질
| XLogP | 3.7 |
|---|---|
| 극성 표면적 | 20.2 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 10 |
| 형식 전하 | 0 |
| 복잡도 | 108 |
| 물질 분류 | Hazardous Air Pollutants (HAPs)Other Classes -> ChlorophenolsCarcinogensChlorinated/Brominated phenolSemi-Volatile Organic Compound (SVOC) |
| pH | Moderately acidic substance |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| 농약 | Pesticide -> EPA IRISEnvironmental transformation -> Pesticide transformation products (metabolite, successor) |
| LogP(분배 계수) | log Kow = 3.693.73.83 |
| 냄새 | Strong phenolic odor |
| 맛 | Taste threshold in water: 2.0 ug/l |
| 밀도 | 1.675 at 77 °F (NTP, 1992) - Denser than waterwill sink1.4901Density: 1.4901g/cu cm at 75 °CDensity (at 25 °C): 1.7 g/cm³1.4901 @ 75°C |
| Color/Form | Crystals from ligroinYellow flakesOrthorhombic needles from acetic acid |
| 용해도 | less than 0.1 mg/mL at 64 °F (NTP, 1992)In water, 500 mg/L at 25 °C525 g/100 g acetone113 g/100 g benzene37 g/100 g carbon tetrachloride335 g/100 g diacetone alcohol400 g/100 g denatured alcohol formula525 g/100 g methanol163 g/100 g pine oil16 g/100 g Stoddard solvent100 g/100 g toluene37 g/100 g turpentineSoluble in ethanol, ethyl ether, acetic acidSolubility in water, g/l at 20 °C: 0.8 (very poor)0.8g/L |
| 인화점 | 99 °C c.c. |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| 녹는점 | 64-66 °C(lit.) |
| 끓는 점 | 246 °C(lit.) |
| 증기압 | 1 mm Hg ( 76.5 °C) |
| 굴절률 | 1.5300 (estimate) |
| 저장 조건 | Store below +30°C. |
| 물리적 상태 | 결정질 덩어리 또는 결정질 분말 및 덩어리 |
| pKa(산도 계수) | 6.15 (Leuenberger et al., 1985) 6.10 (Blackman et al., 1955) 6.0 (Eder and Weber, 1980) |
| 색상 | 흰색에서 약간 갈색 |
| 용해도 | 0.8g/L |
| Merck | 14,9644 |
| BRN | 776729 |
| 헨리 상수 | 9.07 at 25 °C (estimated, Leuenberger et al., 1985a) |
| InChI | 1S/C6H3Cl3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H |
| InChIKey | LINPIYWFGCPVIE-UHFFFAOYSA-N |
| SMILES | Oc1c(Cl)cc(Cl)cc1Cl |
| NIST | Phenol, 2,4,6-trichloro-(88-06-2) |
| EPA | 2,4,6-Trichlorophenol (88-06-2) |
화학적 성질
Yellow flakes; strong phenolic odor. Soluble in acetone, alcohol, and ether; insoluble in water. Nonflammable.
안전 및 규제
| GHS 분류 | WarningH302: Harmful if swallowed [Warning Acute toxicity, oral]P203, P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P351+P338, P318, P321, P330, P332+P317, P337+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
|---|---|
| 규제 정보 | Chemical: Phenol, 2,4,6-trichloro-Hazard Traits - CarcinogenicityRegulation (EC) No 1107/2009 (amended)2,4,6-Trichlorophenol: 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 | Literature sources indicate that this chemical is nonflammable. (NTP, 1992)Combustible. Gives off irritating or toxic fumes (or gases) in a fire. |
| 화재 가능성 | Non-combustible /Trichlorophenol/ |
| 건강 유해성 | SYMPTOMS: Symptoms of exposure to this compound may include irritation of the skin, eyes, nose, throat, mucous membranes and upper respiratory tract. Contact with the skin may result in redness, edema, dermatitis and chemical burns. Contact with the eyes may result in corneal injury and iritis. It may also cause lacrimation. Other symptoms may include an increase followed by a decrease in respiratory rate and urinary output, fever, increased bowel action, weakness of movement, collapse, convulsions, lung damage, liver damage and kidney damage. Additional symptoms caused by this type of compound include painless blanching or erythema of the skin, corrosion, profuse sweating, intense thirst, nausea and vomiting, diarrhea, cyanosis from methemoglobinemia, hyperactivity, hyperthermia, skin rashes (sometimes chloracne), neurological and immunological effects, stupor, blood pressure fall, hyperpnea, abdominal pain, hemolysis, coma, and pulmonary edema followed by pneumonia. Rapid death has been reported. If death from respiratory failure is not immediate, jaundice and oliguria or anuria may occur. Skin sensitivity reactions occur occasionally. Prolonged eye contact may cause eye damage. Depending on the intensity and duration of exposure, effects may include severe destruction of tissue. |
| 유해성 요약 |
용도
용도
2,4,6-Trichlorophenol is used as a broad range pesticide against insects, fungi, vegetation and bacteria. It has become a common environmental contaminant and probable human carcinogen.