Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
에틸헥사노일클로라이드
2-에틸헥사노일염화물 · 에틸헥사노일클로라이드 · 2-에틸헥산오일 클로라이드 · hexanoyL · Hexanoyl chloride, 2-ethyl- · ethylhexanoyl chloride · 2-EHCL · UNII:81065MP285
식별자 및 물리적 특성
| CAS No. | 760-67-8 |
|---|---|
| 분자식 | C8H15ClO |
| 평균 분자량 | 162.66 g/mol |
| 단동위원소 질량 | 162.08114278 g/mol |
| SMILES | CCCCC(CC)C(=O)Cl |
| InChIKey | WFSGQBNCVASPMW-UHFFFAOYSA-N |
| PubChem CID | 79103 |
| ChEMBL | CHEMBL3182853 |
| EC No. | 212-081-1 |
| DTXSID | DTXSID5027308 |
| 현지명 | 에틸헥사노일클로라이드 |
화학 및 물리적 성질
| XLogP | 3.6 |
|---|---|
| 극성 표면적 | 17.1 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 5 |
| 무거운 원자 수 | 10 |
| 형식 전하 | 0 |
| 복잡도 | 101 |
| Physical Description | Liquid |
| 녹는점 | <-75°C |
| 끓는 점 | 67-68 °C/11 mmHg (lit.) |
| 밀도 | 0.939 g/mL at 25 °C (lit.) |
| 증기압 | 0.72 mm Hg ( 67.7 °C) |
| 굴절률 | n20/D 1.433(lit.) |
| 인화점 | 157 °F |
| 저장 조건 | Store below +30°C. |
| 물리적 상태 | 투명한 액체 |
| 색상 | 무색 내지 거의 무색 |
| 용해도 | 물과 반응합니다. |
| BRN | 956601 |
| InChI | 1S/C8H15ClO/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3 |
| InChIKey | WFSGQBNCVASPMW-UHFFFAOYSA-N |
| SMILES | CCCCC(CC)C(Cl)=O |
| NIST | Hexanoyl chloride, 2-ethyl-(760-67-8) |
| EPA | Hexanoyl chloride, 2-ethyl- (760-67-8) |
화학적 성질
CLEAR COLOURLESS TO GREYISH LIQUID
안전 및 규제
| GHS 분류 | DangerH290 (96.9%): May be corrosive to metals [Warning Corrosive to Metals]P234, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P333+P317, P362+P364, P363, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 161 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H227: Combustible liquid [Warning Flammable liquids] |
|---|---|
| 규제 정보 | Chemical: Hexanoyl chloride, 2-ethyl-Hexanoyl chloride, 2-ethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexanoyl chloride, 2-ethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 20-09-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/14221 |
| 기타 안전 정보 | IMAP assessments - Hexanoyl chloride, 2-ethyl-: Environment tier I assessment |
| Hazard Classes and Categories | Met. Corr. 1 (96.9%)Flammable liquids - Category 4 |
| 수질 위해 등급(WGK) | 1 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | MP4525000 |
| 운송 번호(UN) | UN 3265 8/PG 2 |
| 관세 코드 | 29159080 |
| 위험 문구(R) | 34-43-41-23-22 |
| 위험 표시 | C |
| 안전 문구(S) | 26-36/37/39-45-25 |
| 포장분류 | II |
| 위험 등급 | 8Acute Tox. 2 InhalationAcute Tox. 4 OralMet. Corr. 1Skin Corr. 1BSkin Sens. 1 |
| 기존화학 물질 | KE-13770 |
| 저장 분류 | 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials |
용도
용도
2-Ethylhexanoyl chloride was used in the preparation of 4-aza-6-ethyl-4-(2-ethylhexanoyloxy)-5-oxodecyl 2,3, 4,6-tetra-O-acetyl-l-thio-β-D glucopyranoside. It was also used in the preparation of poly(4,8-bis-alkyloxybenzo(1,2-b:4,5-b)dithiophene-2,6-diyl-alt-(alkyl thieno(3,4-b)thiophene-2-carboxylate)-2,6-diyl), having very promising photovoltaic properties.