α-브로모프로피온산

2-Bromopropionic acid

HCID 11729CAS 598-72-1
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CC(Br)C(=O)O
InChIKey
MONMFXREYOKQTI-UHFFFAOYSA-N
분자식
C3H5BrO2
평균 분자량
152.97 g/mol
단동위원소 질량
151.9472915

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-.alpha.-Bromopropionic acid(+/-)-2-Bromopropionic acid(+/-)-2-Bromopropanoic acid2-bromo-propionic acidBR1120S-2-Bromopropionic acidDL-2-Bromopropionic acid

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 물성

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

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Organic Acids
Vapor Pressure0.29 [mmHg]
Physical Description · 2건

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

화학적 성질

clear colorless to yellowish liquid after melting. soluble in water, miscible with alcohol, ether, chloroform and benzene.

안전 및 규제

GHS 분류

GHS Classification · 4건

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 · 4건

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)

Status: Active Update: 10-08-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/10591

2-Bromopropionic acid: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1건

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

wgk
3
tsca
TSCA listed
rtecs
UA2451715
ridadr
UN 3265 8/PG 2
HS 번호
29159080
risk_code
22-34-40-36/37/38-38-11

화학 및 산업

용도 및 제조

U.S. Production2023: <50,000 lb
Industry UsesChemical reaction regulator
General Manufacturing Information · 2건

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 · 1건

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.

상·하류 제품 정보

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

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