Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
2-브로모프로피온산에틸에스테르
2-브로모프로피온산에틸에스테르 · 2-브로모프로피온산 에틸 · ETHYL 2-BROMOPROPANOATE · DL-ETHYL 2-BROMOPROPIONATE · Ethyl 2-broMopropion · Ethyl-bromopropanoate · Ethyl 2-bromopropiote · Ethyl a-bromopropionate
식별자 및 물리적 특성
| CAS No. | 41978-69-2 |
|---|---|
| 분자식 | C5H9BrO2 |
| 평균 분자량 | 181.03 g/mol |
| 단동위원소 질량 | 179.97859 g/mol |
| SMILES | CCOC(=O)C(C)Br |
| InChIKey | ARFLASKVLJTEJD-UHFFFAOYSA-N |
| PubChem CID | 79040 |
| EC No. | 208-609-5 |
| DTXSID | DTXSID90871746 |
| 현지명 | 2-브로모프로피온산에틸에스테르 |
화학 및 물리적 성질
| XLogP | 1.7 |
|---|---|
| 극성 표면적 | 26.3 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 8 |
| 형식 전하 | 0 |
| 복잡도 | 82 |
| Physical Description | Liquid with a sharp pungent odorYellows on light exposure[Merck Index] Clear light yellow liquid[Sigma-Aldrich MSDS] |
| Kovats Retention Index | 90690990793113271340 |
| 녹는점 | <25 °C |
| 끓는 점 | 156-160 °C (lit.) |
| 밀도 | 1.394 g/mL at 25 °C (lit.) |
| 굴절률 | n20/D 1.446(lit.) |
| 인화점 | 125 °F |
| 저장 조건 | Store below +30°C. |
| 용해도 | 클로로포름(약간 용해됨), 메탄올(약간 용해됨) |
| 물리적 상태 | 액체 |
| 색상 | 투명하고 무색에서 아주 약간 노란색을 띤다. |
| 용해도 | 섞일 수 없음 |
| Merck | 14,3772 |
| BRN | 773920 |
| 유전율 | 9.3000000000000007 |
| 안정성 | Corrosive |
| InChI | 1S/C5H9BrO2/c1-3-8-5(7)4(2)6/h4H,3H2,1-2H3 |
| InChIKey | ARFLASKVLJTEJD-UHFFFAOYSA-N |
| SMILES | CCOC(=O)C(C)Br |
| NIST | Propanoic acid, 2-bromo-, ethyl ester(535-11-5) |
| EPA | Propanoic acid, 2-bromo-, ethyl ester (535-11-5) |
화학적 성질
clear colorless to very slightly yellow liquid
안전 및 규제
| GHS 분류 | DangerH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]H302 (10.6%): Harmful if swallowed [Warning Acute toxicity, oral]H314 (69.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H315 (13.6%): Causes skin irritation [Warning Skin corrosion/irritation]H335 (12.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P319, P321, P330, P332+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 66 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| 규제 정보 | Chemical: Propanoic acid, 2-bromo-, ethyl esterStatus: Active Update: 10-08-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/23965Ethyl 2-bromopropionate: Does not have an individual approval but may be used under an appropriate group standard |
| 유해성 요약 | Causes burns and lachrymationInhalation may cause corrosive injuries to upper respiratory tract[Sigma-Aldrich MSDS] See Methyl dichloroacetate. |
| Hazard Classes and Categories | Flam. Liq. 3 (100%)Acute Tox. 4 (10.6%)Skin Corr. 1B (69.7%)Skin Irrit. 2 (13.6%)STOT SE 3 (12.1%) |
| 유해 작용 | Dermatotoxin - Skin burns.Lacrimator (Lachrymator) - A substance that irritates the eyes and induces the flow of tears. |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | UA2451730 |
| 운송 번호(UN) | UN 2920 8/PG 2 |
| 독성 | LD50 orally in Rabbit: 281 mg/kg |
| 관세 코드 | 29159080 |
| 위험 문구(R) | 10-34-36/37/38-20/22 |
| 위험 표시 | C,Xn |
| 안전 문구(S) | 16-26-36/37/39-45-37/39 |
| 포장분류 | III |
| 위험 등급 | 3Flam. Liq. 3Skin Corr. 1B |
| F 고인화성물질 | 8-19 |
| 저장 분류 | 3 - Flammable liquids |
용도
용도
Ethyl 2-Bromopropionate is an intermediate in the synthesis of organic compounds and pharmaceuticals.