5-브로모-2-푸르알데히드
5-Bromofuran-2-carbaldehyde
데이터를 보충하는 중입니다. 잠시 후 페이지를 새로 고치면 최신 내용을 볼 수 있습니다
기본 정보
- CAS
1899-24-7- 표준 SMILES
O=Cc1ccc(Br)o1- InChIKey
WJTFHWXMITZNHS-UHFFFAOYSA-N- 분자식
- C5H3BrO2
- 평균 분자량
- 174.98 g/mol
- 단동위원소 질량
- 173.93164
이름 및 식별자
- 우선 이름
- 5-Bromofuran-2-carbaldehyde
- IUPAC
- 5-bromofuran-2-carbaldehyde
- 현지명
- 5-브로모-2-푸르알데히드
- 영어명
- 5-Bromo-2-furaldehyde
- 분자식
- C5H3BrO2
- 분자량
- 174.98
이름 및 동의어
5-bromofuran-2-carbaldehydeRefChem:534041628-757-85-Bromo-2-furaldehyde1899-24-75-Bromofurfural2-Furancarboxaldehyde, 5-bromo-5-bromo-2-furfural5-bromofuran-2-carboxaldehydeMFCD001595015-bromo-furfural2-Furaldehyde, 5-bromo-
이름 더 보기
5-브로모-2-푸르알데히드5-Bromo-2-furaldehyde acid5- Bromofural5-Bromo-2-furaL5-Bromofuraldehyde5-bromo-2-furaldehye
5-bromo-furan-2-carbaldehydeFurfural, 5-bromo-5-bromo-2-formylfuran2-Bromofuran-5-carboxaldehydeSTR06646AC-25746SY008053Z57041993
데이터베이스 식별자
- CAS
1899-24-7- PubChem CID
- 600328
- DTXSID
DTXSID40344910- ChEMBL
CHEMBL2335228- EC Number
- 628-757-8
- Nikkaji
- J27.236A
물성
구조 계산 물성보충 중
- XLogP
- 1.8
- 극성 표면적
- 30.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 8
- 형식 전하
- 0
- 복잡도
- 94
물리화학적 성질
- 녹는점
- 82 · 82-85 °C (lit.)
- 끓는 점
- 112 °C/16 · 112 °C/16 mmHg (lit.)
- 밀도
- 1.594 · 1.5940 (rough estimate)
- 굴절률
- 1.445 · 1.4450 (estimate)
- 인화점
- 112 °C/6mm · 112°C/6mm
- 저장 조건
- 2 · 2-8°C
- 용해도
- 클로로포름, 메탄올에 용해됨
- 물리적 상태
- 가루
- 색상
- 약간 노란색
- BRN
- 108403 · 108403
- 안정성
- 안정적인. 강한 산화제와 호환되지 않습니다.
- InChI
- InChI=1S/C5H3BrO2/c6-5-2-1-4(3-7)8-5/h1-3H
- InChIKey
- WJTFHWXMITZNHS-UHFFFAOYSA-N
- SMILES
- O1C(Br)=CC=C1C=O
화학적 성질
solid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (95.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (87.2%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (87.2%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 7 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
Hazard Classes and CategoriesAcute Tox. 4 (95.7%)；Acute Tox. 4 (87.2%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (87.2%)；STOT SE 3 (97.9%)
안전 데이터
- wgk
- 3
- HS 번호
- 29130000
- risk_code
- 20/21/22-36/37/38
- hazard_code
- Xn,Xi
- safety_code
- 26-36-36/37/39
- 위험 등급
- IRRITANT
- 위험 참고 사항
- Harmful
- Hazard Classifications
화학 및 산업
응용 분야
용도5-Bromo-2-furaldehyde is used in the preparation of isoindolinones from furfural. Also used in the preparation of brominated nitrovinylfuran which displays antibacterial activity.
제조 방법
A three-necked 50 mL round bottom flask was charged with [bmim]Br3 (20 mmol) followed by dropwise addition of freshly distilled 2-furfural (20 mmol) over a period of 0.5 h and the reaction mixture was stirred for at 40 ℃ 2.5 h under nitrogen atmosphere. The mixture was extracted with petroleum ether (30 mL × 3), the organic layer was washed with water, dried (sodium sulfate) and concentrated. The crude product was purified by distillation and recrystallization with 10 % ethyl acetate-ether solution. 5-Bromo-2-furfural of yellowish crystal in 88 % yield was obtained. Mp. 82-85 ℃, 1H NMR (CDCl3), δ: 9.55 (s, 1H), 7.25 (s, 1H), 6.57 (s, 1H).
상·하류 제품 정보
상류 원료
하류 제품
관련 반응
74건
화합물 노트
불러오는 중…