5-브로모-2,4-다이메톡시벤잘데하이드

5-Bromo-2,4-dimethoxybenzaldehyde

HCID 668346CAS 130333-46-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1cc(OC)c(C=O)cc1Br
InChIKey: PXDIELLGFUEAIX-UHFFFAOYSA-N
분자식: C9H9BrO3
평균 분자량: 245.07 g/mol
단동위원소 질량: 243.97350625

이름 및 식별자

우선 이름: 5-Bromo-2,4-dimethoxybenzaldehyde
IUPAC: 5-bromo-2,4-dimethoxybenzaldehyde
현지명: 5-브로모-2,4-다이메톡시벤잘데하이드
영어명: 5-BROMO-2,4-DIMETHOXYBENZALDEHYDE
분자식: C9H9BrO3
분자량: 245.07

이름 및 동의어

5-Bromo-2,4-dimethoxybenzaldehyde130333-46-9DTXSID50349916RefChem:532950DTXCID50300986625-727-65-bromo-2,4-dimethoxy-benzaldehydeMFCD00010863Benzaldehyde, 5-bromo-2,4-dimethoxy-2,4-dimethoxy-5-bromobenzaldehydeCambridge id 7173801STL353677

이름 더 보기

5-브로모-2,4-다이메톡시벤잘데하이드SBB000845ZINC00028461292516_ALDRICHASISCHEM R31004TIMTEC-BB SBB0008455-Bromo-2,4-dimethoxybenzaldehyde 99%InChI=1/C9H9BrO3/c1-12-8-4-9(13-2)7(10)3-6(8)5-11/h3-5H,1-2H

AKOS0001131965-Bromo-2,4-dimethoxybenzaldehyde, 99%FT-0643128SCHEMBL1539323SCHEMBL29655238PXDIELLGFUEAIX-UHFFFAOYSA-N3-bromo-4,6-dimethoxybenzaldehyde2,4-dimethoxy-5-bromo-benzaldehye

데이터베이스 식별자

CAS: 130333-46-9
PubChem CID: 668346
DTXSID: DTXSID50349916
EC Number: 625-727-6
Nikkaji: J1.358.639J

물성

구조 계산 물성

XLogP: 2
극성 표면적: 35.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 174

물리화학적 성질

녹는점: 140 · 140-141 °C (lit.)
끓는 점: 344.3 · 344.3±37.0 °C(Predicted)
밀도: 1.482 · 1.482±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C, stored under nitrogen
물리적 상태: solid
InChI: InChI=1S/C9H9BrO3/c1-12-8-4-9(13-2)7(10)3-6(8)5-11/h3-5H,1-2H3
InChIKey: PXDIELLGFUEAIX-UHFFFAOYSA-N
SMILES: C(=O)C1=CC(Br)=C(OC)C=C1OC

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도5-Bromo-2,4-dimethoxybenzaldehyde has been used in the preparation of 1,2-dihydro-4,6-dimethoxy-3-methylbenzocyclobuten-1-ol.

일반 설명5-Bromo-2,4-dimethoxybenzaldehyde undergoes coupling with benzo[b]thiophene-2-boronic acid in the presence of tetrakis(triphenylphosphine)palladium(0) to give 5-(benzo[b]thien-2-yl)-2,4-dimethoxybenzaldehyde.