α-브로모프로피온산
2-Bromopropionic acid
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기본 정보
- CAS
598-72-1- 표준 SMILES
CC(Br)C(=O)O- InChIKey
MONMFXREYOKQTI-UHFFFAOYSA-N- 분자식
- C3H5BrO2
- 평균 분자량
- 152.97 g/mol
- 단동위원소 질량
- 151.94729
개요
RN given refers to cpd without isomeric designation
이름 및 식별자
- 우선 이름
- 2-Bromopropionic acid
- IUPAC
- 2-bromopropanoic acid
- 현지명
- α-브로모프로피온산
- 영어명
- 2-Bromopropionic acid
- 분자식
- C3H5BrO2
- 분자량
- 152.97
이름 및 동의어
2-BROMOPROPIONIC ACID2-Bromopropanoic acid598-72-1Propanoic acid, 2-bromo-alpha-Bromopropionic acidDTXSID9027233UE0XVY2DT6NSC-172J631IDTXCID207233RefChem:85900209-947-6
이름 더 보기
2-브로모프로피온산α-브로모프로피온산2-브로모프로판산(S)-2-BROMOPROPANOIC ACID2-BROMOPROPANAMIDEA-BROMOPROPIONIC ACID2-broMide3-(3-(4'2-Bromopropion-Bromo-[1,1'DL-2-BromopropionicRARECHEM AL BO 1266
Propionic acid, 2-bromo-DL-2-Bromopropionic acidPropanoic acid, bromo-bromopropionic acid.alpha.-Bromopropionic acid(+/-)-2-Bromopropionic acid(+/-)-2-Bromopropanoic acid(R)-(+)-2-BromopropionicAcid
데이터베이스 식별자
- CAS
598-72-1- PubChem CID
- 11729
- DTXSID
DTXSID9027233- ChEMBL
CHEMBL3182324- UNII
- UE0XVY2DT6
- EC Number
- 209-947-6
- Nikkaji
- J480D、J631I
물성
구조 계산 물성보충 중
- XLogP
- 0.9
- 극성 표면적
- 37.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 6
- 형식 전하
- 0
- 복잡도
- 61.8
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Organic Acids
LogP0.92
Vapor Pressure0.29 [mmHg]
Physical Description
Liquid
Colorless melt; mp = 25 deg C; [Alfa Aesar MSDS]
물리화학적 성질
- 녹는점
- 25.7 °C · 25.7°C
- 끓는 점
- 203 °C · 203 °C (lit.)
- 밀도
- 1.7 g/mL · 1.7 g/mL at 25 °C (lit.)
- 굴절률
- 20 · n20/D 1.475(lit.)
- 인화점
- 212 °F · 212 °F
- 저장 조건
- room temp
- 물리적 상태
- 녹은 후에 액체
- 산도 계수 (pKa)
- 1 · pK1: 2.971 (25°C)
- Specific Gravity
- 1.7 · 1.7
- 색상
- 무색~황색으로 투명함
- 수용성
- 녹는
- BRN
- 605451 · 605451
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H301 (69.9%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P264, P264+P265, P270, P280, P301+P316, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 163 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Propanoic acid, 2-bromo-
Propanoic acid, 2-bromo- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Propanoic acid, 2-bromo- 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)
REACH registered substance: 2-bromopropionic acid (EC: 209-947-6)
2-Bromopropionic acid: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Causes other degenerative changes in brain, ataxia, changes in sodium, and muscle weakness in 2- and 3-day intermittent oral studies of rats; [RTECS] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Harmful by ingestion; [Alfa Aesar MSDS] See 3-Bromopropionic acid.
Hazard Classes and CategoriesAcute Tox. 3 (69.9%)
독성 정보
Adverse EffectsDermatotoxin - Skin burns.
안전 데이터
화학 및 산업
용도 및 제조
U.S. Production2023: <50,000 lb
Industry UsesChemical reaction regulator
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
Propanoic acid, 2-bromo-: ACTIVE
응용 분야
용도It is employed as pharmaceutical and agrochemical intermediate. It is used as an alkylation agent for mercaptans and other sulfur containing compounds.
제조 방법
2-Bromopropionic acid is obtained by bromination of propionic acid. Add propionic acid and phosphorus trichloride to the reaction kettle, keep the temperature at 80°C, slowly add bromine to the reaction solution dropwise, and heat up to 85°C after the addition of bromine, and raise the temperature to 100°C when the color of bromine disappears completely, it takes about 2~3h, and then the bromine and hydrobromic acid are recovered under reduced pressure, and then the finished product is obtained by distillation under reduced pressure.
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