기본 정보
- 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 물성
- 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
- 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
- 2 · Propanoic acid, 2-bromo-, ethyl ester(535-11-5)
- EPA
- 2 · Propanoic acid, 2-bromo-, ethyl ester (535-11-5)
화학적 성질
clear colorless to very slightly yellow liquid
안전 및 규제
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%)
독성 정보
Adverse EffectsDermatotoxin - Skin burns.；Lacrimator (Lachrymator) - A substance that irritates the eyes and induces the flow of tears.
규제 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
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- UA2451730
- ridadr
- UN 2920 8/PG 2
- 독성
- LD50 orally in Rabbit: 281 mg/kg
- HS 번호
- 29159080
- risk_code
- 10-34-36/37/38-20/22
- hazard_code
- C,Xn
- safety_code
- 16-26-36/37/39-45-37/39
- 포장분류
- III
- 위험 등급
- 3
- F 고인화성물질
- 8-19
- Hazard Classifications
- Flam. Liq. 3Skin Corr. 1B
- 스토리지 클래스
- 3 - Flammable liquids
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.
상·하류 제품 정보
상류 원료
하류 제품
공급사2 곳
武汉弘德悦欣医药科技有限公司027-83850116 18164090116 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
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