Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
이소부티릴 클로라이드
이소부티로일염화물 · 이소부티릴클로라이드 · 아이소-뷰티릴 클로라이드 · isobutyryl · 2-METHYLPROPANOYL CHLORIDE · IBCL · ISOBUTANOYLCHLORIDE · Isoburyryl chloride
식별자 및 물리적 특성
| CAS No. | 79-30-1 |
|---|---|
| 분자식 | C4H7ClO |
| 평균 분자량 | 106.55 g/mol |
| 단동위원소 질량 | 106.01854252 g/mol |
| SMILES | CC(C)C(=O)Cl |
| InChIKey | DGMOBVGABMBZSB-UHFFFAOYSA-N |
| PubChem CID | 62325 |
| EC No. | 201-194-1 |
| DTXSID | DTXSID0052542 |
| 현지명 | 이소부티릴 클로라이드 |
화학 및 물리적 성질
| XLogP | 1.8 |
|---|---|
| 극성 표면적 | 17.1 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 6 |
| 형식 전하 | 0 |
| 복잡도 | 58.6 |
| 물질 분류 | Toxic Gases & Vapors -> Acid HalidesFlammable agents - 3rd degree |
| SpringerMaterials Properties | Schoenflies notation |
| Physical Description | Isobutyryl chloride appears as a colorless liquid. Irritates skin, eyes and mucous membranes. Toxic by ingestion, inhalation and skin absorption. Used to make other chemicals.[Alfa Aesar MSDS] |
| 녹는점 | -90 °C (lit.) |
| 끓는 점 | 91-93 °C (lit.) |
| 밀도 | 1.017 g/mL at 25 °C (lit.) |
| 증기압 | 0.07 mm Hg ( 20 °C) |
| 굴절률 | n20/D 1.407(lit.) |
| 인화점 | 34 °F |
| 저장 조건 | Store below +30°C. |
| 용해도 | 클로로포름, 빙초산, 에테르, 톨루엔, 염화메틸렌 및 벤젠과 혼합 가능합니다. |
| 물리적 상태 | 액체 |
| 색상 | 투명한 |
| 냄새 | 고약한 냄새 |
| pH | <7 (H2O) |
| 폭발한계 | 2.1-8.2%(V) |
| 용해도 | 물과 반응 |
| BRN | 605393 |
| InChI | 1S/C4H7ClO/c1-3(2)4(5)6/h3H,1-2H3 |
| InChIKey | DGMOBVGABMBZSB-UHFFFAOYSA-N |
| SMILES | CC(C)C(Cl)=O |
| NIST | 2-Methylpropanoyl chloride(79-30-1) |
| EPA | Propanoyl chloride, 2-methyl- (79-30-1) |
화학적 성질
Colorless liquid.Soluble in ether; reacts with water and alcohol.
안전 및 규제
| GHS 분류 | DangerH225: Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P234, P240, P241, P242, P243, P260, P264, P264+P265, P270, P271, P280, P284, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P363, P370+P378, P390, P403+P233, P403+P235, P405, P406, and P501 (click each P-code to see the statement) |
|---|---|
| Hazards Identification | Water-reactive material (WR) |
| 규제 정보 | Status: Active Update: 20-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/13467Isobutyryl chloride: 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) | Flammable Liquid Corrosive |
| 화재 위험 | Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]:· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. |
| 건강 유해성 | Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]:· TOXIC and/or CORROSIVEinhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death. |
| 유해성 요약 | A severe eye irritantCauses focal lung fibrosis and acute pulmonary edema in inhalation lethal-concentration studies of rats[RTECS] Causes burnsInhalation may cause corrosive injuries to upper respiratory tract and lungs[Alfa Aesar MSDS] |
| 운송 번호 및 가이드(DOT) | 2395 155 |
| 반응성 그룹 | Acyl Halides, Sulfonyl Halides, and Chloroformates |
| Reactivity Alerts | Highly Flammable |
| Reactivity Profile | ISOBUTYRYL CHLORIDE is water reactive. Incompatible with strong oxidizing agents, alcohols, bases (including amines). May react vigorously or explosively if mixed with diisopropyl ether or other ethers in the presence of trace amounts of metal salts [J. Haz. Mat., 1981, 4, 291]. |
| DOT Hazard Classification | Isobutyryl chlorideUN2395Class 3 Flammable and combustible liquid (49 eCFR § 173.120)PG II: the degree of danger presented by the material is medium |
| Air and Water Reactions | Highly flammable. Produces corrosive toxic fumes containing HCl on contact with moist air. Decomposes in water. |
| 소화 | Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / 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 | Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]:General First Aid: |
| 노출 관리 및 개인 보호 | · Wear positive pressure self-contained breathing apparatus (SCBA).TIH (Toxic Inhalation Hazard) - Term used to describe gases and volatile liquids that are toxic when inhaled. Some are TIH materials themselves, e.g., chlorine, and some release TIH gases when spilled in water, e.g., chlorosilanes. [ERG 2016]. |
| 비화재 누출 대응 | Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]: |
| Isolation and Evacuation | Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]:Immediate precautionary measureWhen spilled in water |
| Toxic-by-Inhalation (TIH) Gas | HCl - when spill Isobutyryl chloride into water. |
| Personal Protective Equipment (PPE) | Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]: |
| 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) = 11,600 mg/m3/4hr |
| 수질 위해 등급(WGK) | 1 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | UC3944000 |
| 운송 번호(UN) | UN 2395 |
| 관세 코드 | 29159080 |
| 위험 문구(R) | 11-35-23 |
| 위험 표시 | F,C,T |
| 안전 문구(S) | 16-23-26-36-45-36/37/39-28A |
| 포장분류 | II |
| 위험 등급 | 3Flam. Liq. 2Skin Corr. 1A |
| 기존화학 물질 | 98-3-989 |
| F 고인화성물질 | 13 |
| 위험 참고 사항 | Highly Flammable/Corrosive/Moisture Sensitive |
| 자연 발화 온도 | 325 °C |
| 저장 분류 | 3 - Flammable liquids |
용도
용도
Isobutyryl chloride is used in the preparation of fully isobutyramide terminated hyperbranched polyethylenimines. It plays an important role in the separation and identification of shikonin and its ester derivatives in the root epidermis of Echium italicum L. It acts as an acylating agent for the ketimine derivatives of alfa-amino esters, nucleosides and pyrroles. Further, it is used in the preparation of organic peroxides. In addition to this, it is used as an intermediate for dyes, textile auxiliaries and peroxide compounds.
일반 설명
A colorless liquid. Flash point near 50°F. Irritates skin, eyes and mucous membranes. Toxic by ingestion, inhalation and skin absorption. Used to make other chemicals.