에틸 2-브로모아이소뷰티레이트
Propanoic acid, 2-bromo-2-methyl-, ethyl ester
기본 정보
- CAS
600-00-0- 표준 SMILES
CCOC(=O)C(C)(C)Br- InChIKey
IOLQWGVDEFWYNP-UHFFFAOYSA-N- 분자식
- C6H11BrO2
- 평균 분자량
- 195.05 g/mol
- 단동위원소 질량
- 193.99424169
이름 및 식별자
- 우선 이름
- Propanoic acid, 2-bromo-2-methyl-, ethyl ester
- IUPAC
- ethyl 2-bromo-2-methylpropanoate
- 현지명
- 에틸 2-브로모아이소뷰티레이트
- 영어명
- Ethyl 2-bromoisobutyrate
- 분자식
- C6H11BrO2
- 분자량
- 195.05
이름 및 동의어
Ethyl 2-bromoisobutyrate600-00-0Ethyl 2-bromo-2-methylpropionatePropanoic acid, 2-bromo-2-methyl-, ethyl esterNSC 94652-Bromo-2-methylpropanoic acid, ethyl esterNSC 402034alpha-Bromoisobutyric acid, ethyl esterEthyl alpha-bromo-alpha-methylpropionateCCRIS 6546EINECS 209-980-6Propionic acid, 2-bromo-2-methyl-, ethyl ester
이름 더 보기
2-브로모-2-메틸프로피온산에틸α-브로모이소부틸산에틸에틸2-브로모아이소뷰티레이트에틸2-브로모-2-메틸프로피오네이트에틸 2-브로모아이소뷰티레이트Ethyl 2-bromo-2-methylpropanoateEthyl α-bromoisobutyrate2-BROMO-2-METHYLPROPIONIC ACID ETHYL ESTERα-bromoisobutyrateETHYL A-BROMOISOBUTYRATEEthyl α-broMo-Ethyl-2-bromo-2-weather sensors sixEthyl dimethylacetate
DTXSID4060523EC 209-980-6RefChem:869188Ethyl alphabromoisobutyrateEthyl 2bromo2methylpropanoateEthyl 2bromo2methylpropionateDTXCID60427392Bromoisobutyric acid ethyl ester
데이터베이스 식별자
- CAS
600-00-0- PubChem CID
- 11745
- DTXSID
DTXSID4060523- UNII
- 5H4TN4F3C4
- EC Number
- 209-980-6
- Nikkaji
- J96.543J
물성
구조 계산 물성
- XLogP
- 1.9
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 110
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Halogenated Esters
SpringerMaterials PropertiesBoiling point
Vapor Pressure2.61 [mmHg]
Physical DescriptionClear light yellow liquid; [Sigma-Aldrich MSDS]
물리화학적 성질
- 끓는 점
- 65 · 65-67 °C11 mm Hg(lit.)
- 밀도
- 1.329 g/mL · 1.329 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.444(lit.)
- 인화점
- 140 °F · 140 °F
- 저장 조건
- 2 · 2-8°C
- 물리적 상태
- 액체
- 색상
- 무색투명~연황색
- 수용성
- 알코올, 에테르에 용해됩니다. 물에 불용성.
- BRN
- 1098947 · 1098947
- Dielectric constant
- 7.9 · 7.9(20℃)
- 안정성
- 안정적인. 산, 염기, 환원제, 산화제와 호환되지 않습니다.
- InChI
- InChI=1S/C6H11BrO2/c1-4-9-5(8)6(2,3)7/h4H2,1-3H3
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H226 (97.5%): Flammable liquid and vapor [Warning Flammable liquids]
P203, P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P303+P361+P353, P305+P354+P338, P317, P318, P321, P330, P333+P317, P362+P364, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 81 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Status: Active Update: 04-07-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/13603
Ethyl 2-bromo-2-methylpropionate: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
A mild skin and severe eye irritant (may cause eye injury); May cause skin sensitization; Possible mutagen by oral exposure; [ECHA REACH Registrations] An irritant that may cause serious eye injury; A lachrymator; Harmful by ingestion; [Sigma-Aldrich MSDS] See Ethyl 2-bromopropionate.
Hazard Classes and CategoriesFlam. Liq. 3 (97.5%)
독성 정보
Adverse EffectsLacrimator (Lachrymator) - A substance that irritates the eyes and induces the flow of tears.
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1992 3/PG 3
화학 및 산업
용도 및 제조
UsesUsed to make fine and large scale chemicals and pharmaceuticals; [ECHA REACH Registrations]
General Manufacturing InformationPropanoic acid, 2-bromo-2-methyl-, ethyl ester: ACTIVE
응용 분야
용도Ethyl 2-bromoisobutyrate is used as an Atom Transfer Radical Polymerization (ATRP) initiator that will generate a polymer with an ethyl end group.
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