클로로(3-)티오펜
m-클로로톨루엔 · 클로로(3-)티오펜 · MCT · META CHLORO TOLUENE · 1-CHLORO-3-METHYLBENZENE · M-CHLOROTOLUENE · 3-Chlortoluol · m-Chlortoluol
식별자 및 물리적 특성
| CAS No. | 108-41-8 |
|---|---|
| 분자식 | C7H7Cl |
| 평균 분자량 | 126.58 g/mol |
| 단동위원소 질량 | 126.0236279 g/mol |
| SMILES | Cc1cccc(Cl)c1 |
| InChIKey | OSOUNOBYRMOXQQ-UHFFFAOYSA-N |
| PubChem CID | 7931 |
| ChEMBL | CHEMBL1797289 |
| EC No. | 203-580-5 |
| DTXSID | DTXSID4052841 |
| 현지명 | 클로로(3-)티오펜 |
화학 및 물리적 성질
| XLogP | 3.3 |
|---|---|
| 극성 표면적 | 0 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 0 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 8 |
| 형식 전하 | 0 |
| 복잡도 | 70.8 |
| Solvents | Solvents -> Chlorinated Aromatics |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| 밀도 | 1.0722 at 68 °F (USCG, 1999) - Denser than waterwill sink1.072 g/mL at 25 °C (lit.) |
| 인화점 | 126 °F (NTP, 1992)123 °F |
| 끓는 점 | 324 °F at 760 mmHg (NTP, 1992)160-162 °C (lit.) |
| 녹는점 | -54 °F (NTP, 1992)-48 °C (lit.) |
| 증기압 | 10 mmHg at 109.8 °F (NTP, 1992)3.68 [mmHg]3.6 mbar @ 20 C |
| Physical Description | M-chlorotoluene is a colorless liquid. Specific gravity 1.072. Denser than water, thus sinks in water. Flash point less than 141 °F. Vapors irritating and narcotic in high concentrations. Used as solvents and as an intermediate for making other chemicals and dyes.[Hawley] |
| 굴절률 | n20/D 1.522(lit.) |
| 저장 조건 | 0-6°C |
| 용해도 | 0.04g/L |
| 물리적 상태 | 액체 |
| 색상 | 무색투명~미황색 |
| 폭발한계 | 1.3-8.3%(V) |
| 용해도 | 약간 용해됨 |
| Merck | 14,2171 |
| BRN | 1903632 |
| 헨리 상수 | 6.1×10-4 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) |
| 유전율 | 5.5499999999999998 |
| 안정성 | 안정적인. 가연성. 강한 산화제와 호환되지 않습니다. |
| InChI | 1S/C7H7Cl/c1-6-3-2-4-7(8)5-6/h2-5H,1H3 |
| InChIKey | OSOUNOBYRMOXQQ-UHFFFAOYSA-N |
| SMILES | Cc1cccc(Cl)c1 |
| NIST | Benzene, 1-chloro-3-methyl-(108-41-8) |
| EPA | m-Chlorotoluene (108-41-8) |
화학적 성질
o-Chlorotoluene is a flammable, colorless liquid with an aromatic odor. Insoluble in water, easily soluble in benzene, ethanol, ether and chloroform.
안전 및 규제
| GHS 분류 | WarningH332: Harmful if inhaled [Warning Acute toxicity, inhalation]P261, P271, P273, P304+P340, P317, P391, and P501 (click each P-code to see the statement)H226 (95.5%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P273, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P317, P321, P330, P332+P317, P362+P364, P370+P378, P391, P403+P235, and P501 (click each P-code to see the statement) |
|---|---|
| 규제 정보 | Chemical: Benzene, 1-chloro-3-methyl-Status: Active Update: 07-07-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/192143-Chlorotoluene: Does not have an individual approval but may be used under an appropriate group standard |
| 운송 라벨(DOT) | Flammable Liquid |
| 화재 위험 | Special Hazards of Combustion Products: May contain toxic chloride fumes. |
| 건강 유해성 | Inhalation causes upper respiratory irritation. Irritating to skin and eyes. May be absorbed through the skin. Prolonged exposure may result in systemic toxic effects. Harmful if swallowed. (USCG, 1999) |
| 유해성 요약 | A skin, eye, and respiratory tract irritant[CAMEO] Causes narcosis in high concentrations[Hawley] Harmful by inhalation[MSDSonline] |
| 반응성 그룹 | Aryl Halides |
| Reactivity Alerts | Highly Flammable |
| Reactivity Profile | M-CHLOROTOLUENE is generally unreactive. May be incompatible with strong oxidizing and reducing agents. May be incompatible with many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides. |
| Air and Water Reactions | Flammable. Slightly soluble in water. |
| Hazard Classes and Categories | Flam. Liq. 3 (95.5%)Acute toxicity - category 4Flammable liquids - Category 3Acute Tox. 4 * |
| Lower Explosive Limit (LEL) | 1.36 % (calculated) (USCG, 1999) |
| 소화 | Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]: |
| 응급 처치 | EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. |
| 비화재 누출 대응 | Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]: |
| Isolation and Evacuation | Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]: |
| Personal Protective Equipment (PPE) | Wear self-contained positive pressure breathing apparatus and full protective clothing. (USCG, 1999) |
| 유해 작용 | Neurotoxin - Acute solvent syndrome |
| 수질 위해 등급(WGK) | 2 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | XS8990000 |
| 운송 번호(UN) | UN 2238 3/PG 3 |
| 관세 코드 | 29039990 |
| 위험 문구(R) | 20-51/53 |
| 위험 표시 | Xn,N |
| 안전 문구(S) | 24/25-61 |
| 포장분류 | III |
| 위험 등급 | 3Acute Tox. 4 InhalationAquatic Chronic 2Flam. Liq. 3 |
| 저장 분류 | 3 - Flammable liquids |
용도
용도
3-Chlorotoluene was used as catalyst in the synthesis of glycidyl methacrylate grafted multi-walled carbon nanotubes/polypropylene nanocomposites. It was used to study paramagnetic contributions from dioxygen to solute proton spin-lattice relaxation rate constants for a series of aromatic hydrocarbons and drug molecule fragments.
일반 설명
3-Chlorotoluene is a colorless liquid. Specific gravity 1.072. Denser than water, thus sinks in water. Flash point less than 141°F. Vapors irritating and narcotic in high concentrations. Used as solvents and as an intermediate for making other chemicals and dyes.
제조 및 합성 방법
제조 방법
3-Chlorotoluene is obtained from m-toluidine by diazotization and substitution. Add m-toluidine to water, slowly add concentrated hydrochloric acid, and add sodium nitrite solution dropwise at 0-5°C. Then the diazo solution is added to the cuprous chloride for replacement reaction. The crude product generated is distilled to obtain the finished product. If the diazo salt is made into a zinc chloride complex salt of m-toluidine diazo salt, it is decomposed by reflux in ether, and the reactants are cooled, washed and dried. After recovering the ether, it is distilled at atmospheric pressure and m-chlorotoluene is obtained by collecting 160-162°C fraction. The advantage of this method is that the diazonium salt is not easy to hydrolyze and generate phenols.