5-Bromofuran-2-carbaldehyde (HCID 600328)

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 물성

XLogP: 1.8
극성 표면적: 30.2 Å²
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

GHS 분류

GHS Classification · 5건

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: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

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 · 1건

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).