Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
디클로로아세트산메틸에스테르
디클로로아세트산메틸에스테르 · 메틸다이클로로아세트산 · 메틸디클로로아세트산 · 메틸 다이클로로아세테이트 · METHYL DICHLOROACETATE · NSC 2882 · TwoMethyl chloroacetate · methyldichloroethanoate
식별자 및 물리적 특성
| CAS No. | 116-54-1 |
|---|---|
| 분자식 | C3H4Cl2O2 |
| 평균 분자량 | 142.97 g/mol |
| 단동위원소 질량 | 141.95883473 g/mol |
| SMILES | COC(=O)C(Cl)Cl |
| InChIKey | HKMLRUAPIDAGIE-UHFFFAOYSA-N |
| PubChem CID | 8315 |
| EC No. | 204-146-8 |
| DTXSID | DTXSID2059433 |
| 현지명 | 디클로로아세트산메틸에스테르 |
화학 및 물리적 성질
| XLogP | 1.5 |
|---|---|
| 극성 표면적 | 26.3 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 7 |
| 형식 전하 | 0 |
| 복잡도 | 71.3 |
| 물질 분류 | Other Classes -> Halogenated EstersFlammable agents - 2nd degree |
| SpringerMaterials Properties | Schoenflies notation |
| 밀도 | 1.3774 at 68 °F (USCG, 1999) - Denser than waterwill sink1.381 g/mL at 25 °C (lit.) |
| 인화점 | 176 °F (USCG, 1999) |
| 끓는 점 | 289 °F at 760 mmHg (USCG, 1999)143 °C (lit.) |
| 녹는점 | -62 °F (USCG, 1999)-52 °C (lit.) |
| 증기압 | 4.5 [mmHg] |
| Physical Description | Methyl dichloroacetate appears as a colorless liquid with an ethereal odor. Combustible. Flash point 176 °F. Corrosive to metals and tissue. Used to make other chemicals.Colorless liquid with an ethereal odor[CAMEO] |
| 굴절률 | n20/D 1.442(lit.) |
| 저장 조건 | room temp |
| 용해도 | 4g/L |
| 물리적 상태 | 액체 |
| 색상 | 무색의 |
| pH | 3.8 (4g/l, H2O, 20℃) |
| 용해도 | 약간 용해됨 |
| BRN | 1747542 |
| InChI | 1S/C3H4Cl2O2/c1-7-3(6)2(4)5/h2H,1H3 |
| InChIKey | HKMLRUAPIDAGIE-UHFFFAOYSA-N |
| SMILES | COC(=O)C(Cl)Cl |
| NIST | Acetic acid, dichloro-, methyl ester(116-54-1) |
| EPA | Acetic acid, 2,2-dichloro-, methyl ester (116-54-1) |
화학적 성질
clear colorless liquid
안전 및 규제
| GHS 분류 | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 61 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H227: Combustible liquid [Warning Flammable liquids] |
|---|---|
| 규제 정보 | Status: Active Update: 31-05-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/17723Methyl dichloroacetate: 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: Produces toxic fumes of phosgene and HCl. (USCG, 1999)· Combustible material: may burn but does not ignite readily. |
| 건강 유해성 | Extremely destructive to the eyes, nose, throat, and upper respiratory tract. May be fatal as a result of spasm, inflammation and edema of the larynx and bronchi, chemical pneumonitis, and pulmonary edema. Symptoms of exposure include burning sensation, coughing, wheezing, laryngitis, shortness of breath, headache, nausea, and vomiting. (USCG, 1999)· TOXIC and/or CORROSIVEinhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death. |
| 유해성 요약 | Reacts with water producing dichloroacetic acidCorrosive to tissue[CAMEO] Hydrolyzed evolving corrosive productsCauses severe skin irritation and serious eye injuryBrief contact can causes second- and third-degree skin burnsInhalation may cause pulmonary edema and chemical pneumonitis[CHRIS] Causes focal lung fibrosis and GI changes in inhalation lethal-concentration studies of rats[RTECS] Reacts with waterCauses burns (especially if skin is wet or moist)Inhalation may cause corrosive injuries to upper respiratory tract and lungs[Acros Organics MSDS] |
| 운송 번호 및 가이드(DOT) | 2299 156 |
| 반응성 그룹 | Esters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters |
| Reactivity Alerts | Water-Reactive |
| Reactivity Profile | METHYL DICHLOROACETATE produces toxic fumes of phosgene and HCl when heated (USCG, 1999). |
| DOT Hazard Classification | Methyl dichloroacetateUN2299Div 6.1 Poisonous materials (49 eCFR § 173.132)PG III: the degree of danger presented by the material is minor |
| Air and Water Reactions | Decomposed by water to dichloroacetic acid, a corrosive material with evolution of heat (USCG, 1999). |
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Flammable liquids - Category 4Flammable agents - 2nd degree |
| 소화 | Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]: |
| 누출 비상 조치 | · CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area. |
| 응급 처치 | Call a physician.General First Aid: |
| 노출 관리 및 개인 보호 | · Wear positive pressure self-contained breathing apparatus (SCBA). |
| 비화재 누출 대응 | Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]: |
| Isolation and Evacuation | Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:Immediate precautionary measure |
| Personal Protective Equipment (PPE) | Approved respirator, chemical-resistant gloves, safety goggles or safety faceshield (8 inch minimum), other protective clothing. (USCG, 1999) |
| Emergency Response Planning Guidelines | · Note: Most foams will react with the material and release corrosive/toxic gases. |
| 유해 작용 | Dermatotoxin - Skin burns. |
| Toxicity Data | LCLo (rat) = 2,000 ppm/30min |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | AG6625000 |
| 운송 번호(UN) | UN 2299 |
| 관세 코드 | 29154000 |
| 위험 문구(R) | 20-36/37/38-40-38-11 |
| 위험 표시 | Xn,Xi,F |
| 안전 문구(S) | 26-36-37/39-16-24-9 |
| 포장분류 | III |
| 위험 등급 | 6.1Acute Tox. 4 InhalationEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 기존화학 물질 | KE-23755 |
| 저장 분류 | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
용도
용도
Dichloroacetic Acid Methyl Ester is used in the preparation of telechelics and block copolymers through living radical polymerization.
일반 설명
A colorless liquid with an ethereal odor. Combustible. Flash point 176°F. Corrosive to metals and tissue. Used to make other chemicals.