4-브로모-2-푸르알데히드

4-Bromo-2-furaldehyde

HCID 2757010CAS 21921-76-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=Cc1cc(Br)co1
InChIKey: MRGBBKQOSUHKPF-UHFFFAOYSA-N
분자식: C5H3BrO2
평균 분자량: 174.98 g/mol
단동위원소 질량: 173.93164

이름 및 식별자

우선 이름: 4-Bromo-2-furaldehyde
IUPAC: 4-bromofuran-2-carbaldehyde
현지명: 4-브로모-2-푸르알데히드
영어명: 4-Bromo-2-furaldehyde
분자식: C5H3BrO2
분자량: 174.98

이름 및 동의어

4-Bromo-2-furaldehyde21921-76-6DTXSID70373692RefChem:290740DTXCID10324724626-307-54-bromofuran-2-carbaldehyde4-BromofurfuralMFCD00671504C5H3BrO22-Furancarboxaldehyde, 4-bromo-4-bromo-2-furancarbaldehyde

이름 더 보기

4-브로모-2-푸르알데히드Furfural Impurity 174-Bromo-2-formylfuran4-Bromo-2-furaldehyde 97%4-Bromo-2-furaldehyde >4-BROMO-2-FURALDEHYDE 95+%4-BROMOFURAN-2-CARBOXALDEHYDE

4-bromo-furan-2-carbaldehyde4-bromo-furfural4-bromofuraldehydeSCHEMBL1495204-bromo-furan-2-carboxaldehyde4-Bromo-2-furaldehyde, 97%CHEMBL4533209CS-B0789

데이터베이스 식별자

CAS: 21921-76-6
PubChem CID: 2757010
DTXSID: DTXSID70373692
ChEMBL: CHEMBL4533209
EC Number: 626-307-5
Nikkaji: J1.504.918I

물성

구조 계산 물성

XLogP: 1.5
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: 54 · 54-58 °C
끓는 점: 112 ℃/16mm · 112℃/16mm
밀도: 1.748 · 1.748±0.06 g/cm3(Predicted)
인화점: 230 °F · >230 °F
저장 조건: 2 · 2-8°C
물리적 상태: powder to crystal
색상: White to Orange to Green
InChI: 1S/C5H3BrO2/c6-4-1-5(2-7)8-3-4/h1-3H
InChIKey: MRGBBKQOSUHKPF-UHFFFAOYSA-N
SMILES: Brc1coc(C=O)c1

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (95.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (97.8%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (87%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (97.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 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%)；Skin Irrit. 2 (97.8%)；Skin Sens. 1 (87%)；Eye Irrit. 2 (97.8%)；STOT SE 3 (95.7%)

안전 데이터

wgk: 3
HS 번호: 2932190090
risk_code: 22-36/37/38-43
hazard_code: Xn,Xi
safety_code: 26-28-36/37/39
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
스토리지 클래스: 11 - Combustible Solids