Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
4-클로로-m-크레졸
4-클로로-m-크레졸 · p-클로로-m-크레졸 · 4-클로로-3-메틸페놀 · Chlorocresol · PCMC · CMK · 4-CMC · PARA CHLORO META CRESOL
식별자 및 물리적 특성
| CAS No. | 1321-10-4 |
|---|---|
| 분자식 | C7H7ClO |
| 평균 분자량 | 142.58 g/mol |
| 단동위원소 질량 | 142.01854252 g/mol |
| SMILES | Cc1cc(O)ccc1Cl |
| InChIKey | CFKMVGJGLGKFKI-UHFFFAOYSA-N |
| PubChem CID | 1732 |
| ChEMBL | CHEMBL1230222 |
| ChEBI | CHEBI:34395 |
| EC No. | 200-431-6 |
| DTXSID | DTXSID4021717 |
| 현지명 | 4-클로로-m-크레졸 |
화학 및 물리적 성질
| XLogP | 3.1 |
|---|---|
| 극성 표면적 | 20.2 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 9 |
| 형식 전하 | 0 |
| 복잡도 | 94.9 |
| 물질 분류 | Other Uses -> Biocides/DisinfectantsSemi-Volatile Organic Compound (SVOC) |
| 화장품 | Cosmetic ingredients (p-Chloro-m-Cresol) -> CIR (Cosmetic Ingredient Review)Preservative |
| pH | pH = 5.6 in saturated aqueous solution6.5 (1g/l, H2O, 20℃) |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| 농약 | Agrochemicals -> Pesticide active substancesActive substance -> EU Pesticides database: Not approved |
| LogP(분배 계수) | log Kow = 3.10 |
| 냄새 | Said to be odorless when very pure, but usually a phenolic odor persists |
| 밀도 | 0.9 at 77 °F (NTP, 1992) - Less dense than waterwill float1.37 g/cu cmBulk density: 49.93 lbs/cu ft (800 g/kg/cu m)1.4 g/cm³1.37 @25 °C1.370 |
| Color/Form | Dimorphous crystals ... aqueous solutions turn yellow on exposure to light and airCrystals from petroleum etherWhite or slightly pink crystals |
| 용해도 | less than 1 mg/mL at 68 °F (NTP, 1992)Soluble in alkalies, organic solvents, fats, and oilsOne gram dissolves in 260 mL water at 20 °CIn water, 3,830 mg/L at 25 °CSolubility in water, g/100ml at 20 °C: 0.38메탄올: 용해성1g/10mL, 투명, 무색 |
| 인화점 | 230 °F (NTP, 1992)118 °C |
| Animal Drugs | Pharmaceuticals -> UK Veterinary Medicines Directorate List |
| 녹는점 | 63-65 °C (lit.) |
| 끓는 점 | 235 °C (lit.) |
| 증기압 | <0.1 hPa (20 °C) |
| 굴절률 | 1.5449 (estimate) |
| 저장 조건 | Store below +30°C. |
| pKa(산도 계수) | pKa 9.55(t = 25) (Uncertain) |
| 물리적 상태 | 플레이크 크리스탈 |
| 색상 | 하얀색 |
| 용해도 | 4g/L(20℃) |
| Merck | 14,2133 |
| BRN | 1237629 |
| 헨리 상수 | 2.5(x 10-6 atmm3/mol)at 20 °C (calculated, Mabey et al., 1982) |
| 안정성 | 안정적인. 황동, 산화제, 구리, 구리 합금과 호환되지 않습니다. |
| 화장품 원료 기능 | 항균항균 방부제 |
| InChI | 1S/C7H7ClO/c1-5-4-6(9)2-3-7(5)8/h2-4,9H,1H3 |
| InChIKey | CFKMVGJGLGKFKI-UHFFFAOYSA-N |
| SMILES | Cc1cc(O)ccc1Cl |
| LogP(분배 계수) | 3.100 |
| NIST | Phenol, 4-chloro-3-methyl-(59-50-7) |
| EPA | p-Chloro-m-cresol (59-50-7) |
화학적 성질
white or pink crystals
안전 및 규제
| GHS 분류 | DangerH302: Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P333+P317, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
|---|---|
| 규제 정보 | Chemical: Phenol, 4-chloro-3-methyl-Hazard Traits - Environmental tox2004/129/ECStatus: Active Update: 29-09-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/10359Chlorocresol: 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.) |
| 기타 안전 정보 | IMAP assessments - Chlorocresol and its sodium salt: Human health tier II assessment |
| 운송 라벨(DOT) | Poison |
| 화재 위험 | Excerpt from ERG Guide 152 [Substances - Toxic (Combustible)]:Combustible. Gives off irritating or toxic fumes (or gases) in a fire. |
| 건강 유해성 | Excerpt from ERG Guide 152 [Substances - Toxic (Combustible)]: |
| 유해성 요약 | Animal evidence: corrosive to eyes and a possible skin sensitizer[CHEMINFO] Can cause redness to the skin and severe burns to the eyesCan reach dangerous air concentrations if heated above room temperature[ICSC] Injury to the liver and other organs is observed in high-dose animal studiesMethemoglobinemia has been reported in human poisoning cases[HSDB] Chlorocresol causes contact urticaria (both immune and non-immune)[Kanerva, p. 219] Danger of skin sensitization[MAK] |
| 반응성 그룹 | Phenols and Cresols |
| EC 분류 | Symbol: Xn, NR: 21/22-41-43-50 |
용도
용도
4-Chloro-3-methylphenol has been used in paint formulations.
일반 설명
A pinkish to white crystalline solid with a phenolic odor. Melting point 64-66°C. Shipped as a solid or in a liquid carrier. Soluble in aqueous base. Toxic by ingestion, inhalation or skin absorption. Used as an external germicide. Used as a preservative in paints and inks.
제조 및 합성 방법
생산 방법
Chlorocresol is prepared by the chlorination of m-cresol.