3-브로모프로피온산
3-Bromopropionic acid
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기본 정보
- CAS
590-92-1- 표준 SMILES
O=C(O)CCBr- InChIKey
DHXNZYCXMFBMHE-UHFFFAOYSA-N- 분자식
- C3H5BrO2
- 평균 분자량
- 152.97 g/mol
- 단동위원소 질량
- 151.9472915
이름 및 식별자
- 우선 이름
- 3-Bromopropionic acid
- IUPAC
- 3-bromopropanoic acid
- 현지명
- 3-브로모프로피온산
- 영어명
- 3-Bromopropionic acid
- 분자식
- C3H5BrO2
- 분자량
- 152.97
이름 및 동의어
3-Bromopropionic acid590-92-13-BROMOPROPANOIC ACIDPropanoic acid, 3-bromo-beta-Bromopropionic acid2-Carboxyethyl bromidePropionic acid, 3-bromo-beta-Bromopropanoic acidWFZ7CSR69RNSC-2638DTXSID9060443RefChem:93261
이름 더 보기
3-브로모프로피온산beta-bromopropanoicacidValine Impurity 303-Bromoprpionicacid-BromopropionicacidRARECHEM AL BO 01603-bromopropanoicacid3-bromo-propanoicaci3-bromo-propionicaci3-BROMPROPIONIC ACID
DTXCID1042520209-694-13-Bromo-propionic acid.beta.-Bromopropionic acidMFCD00002763HSDB 5496NSC 2638EINECS 209-694-1
데이터베이스 식별자
- CAS
590-92-1- PubChem CID
- 11553
- DTXSID
DTXSID9060443- ChEMBL
CHEMBL4569339- UNII
- WFZ7CSR69R
- EC Number
- 209-694-1
- Nikkaji
- J2.686G
물성
구조 계산 물성보충 중
- XLogP
- 0.5
- 극성 표면적
- 37.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 6
- 형식 전하
- 0
- 복잡도
- 52.8
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Organic Acids
SpringerMaterials PropertiesChemical shift
Density1.48
Color/FormPLATES FROM CARBON TETRACHLORIDE
SolubilitySOL IN WATER, ETHER, CHLOROFORM, BENZENE, ALC
Boiling Point140-142 °C @ 45 MM HG
Melting Point
62.5 °C
62.5 °C
Physical DescriptionSolid; [Merck Index] Pale yellow crystals; [Alfa Aesar MSDS]
Dissociation Constants9.8X10-5 @ 25 °C
Other Experimental PropertiesAQ ALKALIES HYDROLYZE BETA-BROMOPROPIONIC ACID TO HYDRACRYLIC ACID
물리화학적 성질
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H302 (16.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 55 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Not Classified
유해성 정보
Regulatory InformationChemical: Propanoic acid, 3-bromo-
Hazards SummaryCorrosive to skin; [Quick CPC] Causes burns; Inhalation of high concentration may cause chemical pneumonitis; Toxic by ingestion; [Alfa Aesar MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (16.4%)
독성 정보
Interactions3-BROMOPROPIONIC ACID ADMIN TO SKIN OF ALBINO MICE, 0.2 ML, 0.3% IN ACETONE TIMES 24 FOR 365 DAYS, PROMOTION WITH CROTON OIL, 0.2 ML, 0.3% IN ACETONE, 20 WK PRODUCED 78/20 PAPILLOMAS; 10/20 PAPILLOMAS IN CONTROLS /FROM TABLE/
Adverse EffectsDermatotoxin - Skin burns.
Non-Human Toxicity Excerpts3-BROMOPROPIONIC ACID PRODUCED AN ELEVATED LUNG TUMOR RESPONSE WHICH WAS SIGNIFICANT BY ONLY 1 STATISTICAL TEST USED, & WAS CONSIDERED A BORDERLINE TUMORIGENIC COMPD.
안전 데이터
- wgk
- 3
화학 및 산업
약리 정보
Metabolism/Metabolites3-BROMOPROPIONIC ACID WAS ISOLATED FROM THE URINE OF RATS TREATED WITH 1-BROMOPROPANE.
용도 및 제조
Uses
Used in chemical production and research; [HSDB]
CHEMICAL INTERMEDIATE
RESEARCH CHEMICAL
U.S. Exports
(1979) No Data
(1981) No Data
U.S. Imports
(1979) No Data
(1981) No Data
U.S. Production
(1979) No Data
(1981) No Data
Methods of Manufacturing
PREPD BY THE ACTION OF HYDROBROMIC ACID ON ACRYLIC ACID, ON HYDRACRYLIC ACID, & ON ETHYLENE CYANOHYDRIN: KENDALL, MCKENZIE, ORG SYN 3: 25 (1923).
PROBABLY BY REACTION OF HYDROBROMIC ACID WITH ACRYLIC ACID
General Manufacturing InformationPropanoic acid, 3-bromo-: ACTIVE
응용 분야
용도3-Bromopropionic acid used as quaternization agent in amperometric biosensors.
제조 방법
3-Bromopropionic acid is prepared by reacting acrylonitrile with hydrogen bromide to obtain bromopropionitrile and then hydrolyzing it. Add acrylonitrile to boiling hydrobromic acid, reflux at 130°C for 6 hours, extract the solid obtained by filtration with ethanol, and obtain the crude product after recovering ethanol by distillation under reduced pressure. By heating 2-cyanoethanol and 40% hydrobromic acid to reflux for 2h, 3-bromopropionic acid can also be produced with a yield of over 80%.
관련 반응
103건
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