2-브로모프로피온산에틸에스테르
Ethyl 2-bromopropionate
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기본 정보
- CAS
41978-69-2- 표준 SMILES
CCOC(=O)C(C)Br- InChIKey
ARFLASKVLJTEJD-UHFFFAOYSA-N- 분자식
- C5H9BrO2
- 평균 분자량
- 181.03 g/mol
- 단동위원소 질량
- 179.97859
이름 및 식별자
- 우선 이름
- Ethyl 2-bromopropionate
- IUPAC
- ethyl 2-bromopropanoate
- 현지명
- 2-브로모프로피온산에틸에스테르
- 영어명
- Ethyl 2-bromopropionate
- 분자식
- C5H9BrO2
- 분자량
- 181.03
이름 및 동의어
Ethyl 2-bromopropionate535-11-5Ethyl 2-bromopropanoateEthyl alpha-bromopropionatePropanoic acid, 2-bromo-, ethyl esterEthyl-2-bromopropionate2-Bromopropanoic acid ethyl ester2-Bromopropionic Acid Ethyl Esteralpha-Bromopropionic acid ethyl esterMFCD00000144NSC 675341978-69-2
이름 더 보기
2-브로모프로피온산에틸에스테르2-브로모프로피온산 에틸DL-ETHYL 2-BROMOPROPIONATEEthyl 2-broMopropionEthyl-bromopropanoateEthyl 2-bromopropioteEthyl a-bromopropionateFlurbiprofen impurity ⅡSacubitril Impurity 1122-Bromopropionate ethyl
Ethyl .alpha.-bromopropanoateEthyl .alpha.-bromopropionate2-Bromopropanoic acid, ethyl esterEthyl dl-2-bromopropionatePropionic acid, 2-bromo-, ethyl esterCDA70611LZNSC-6753.alpha.-Bromopropionic acid ethyl ester
데이터베이스 식별자
- CAS
41978-69-2、535-11-5- PubChem CID
- 79040
- DTXSID
DTXSID90871746- UNII
- CDA70611LZ
- EC Number
- 208-609-5、255-601-2
- Nikkaji
- J60.782G
물성
구조 계산 물성보충 중
- XLogP
- 1.7
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 8
- 형식 전하
- 0
- 복잡도
- 82
실험 및 물리화학적 성질
Physical DescriptionLiquid with a sharp pungent odor; Yellows on light exposure; [Merck Index] Clear light yellow liquid; [Sigma-Aldrich MSDS]
Kovats Retention Index
906；909；907
931
1327；1340
물리화학적 성질
- 녹는점
- 25 °C · <25 °C
- 끓는 점
- 156 · 156-160 °C (lit.)
- 밀도
- 1.394 g/mL · 1.394 g/mL at 25 °C (lit.)
- 굴절률
- 20 · n20/D 1.446(lit.)
- 인화점
- 125 °F · 125 °F
- 저장 조건
- 30 °C · Store below +30°C.
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 액체
- 색상
- 투명하고 무색에서 아주 약간 노란색을 띤다.
- 수용성
- 섞일 수 없음
- Merck
- 14 · 14,3772
- BRN
- 773920 · 773920
- Dielectric constant
- 9.3 · 9.3000000000000007
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H226 (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 exposure; Respiratory 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.
유해성 정보
Regulatory Information
Chemical: Propanoic acid, 2-bromo-, ethyl ester
Status: Active Update: 10-08-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/23965
Ethyl 2-bromopropionate: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryCauses burns and lachrymation; Inhalation may cause corrosive injuries to upper respiratory tract; [Sigma-Aldrich MSDS] See Methyl dichloroacetate.
Hazard Classes and CategoriesFlam. Liq. 3 (100%)；Acute Tox. 4 (10.6%)；Skin Corr. 1B (69.7%)；Skin Irrit. 2 (13.6%)；STOT SE 3 (12.1%)
화학 및 산업
용도 및 제조
General Manufacturing InformationPropanoic acid, 2-bromo-, ethyl ester: ACTIVE
응용 분야
용도Ethyl 2-Bromopropionate is an intermediate in the synthesis of organic compounds and pharmaceuticals.
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