3,4-디메톡시-5-히드록시벤즈알데히드

3,4-Dimethoxy-5-hydroxybenzaldehyde

HCID 141513

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 29865-90-5
표준 SMILES: COc1cc(C=O)cc(O)c1OC
InChIKey: NVLTWXMZECWWPC-UHFFFAOYSA-N
분자식: C9H10O4
평균 분자량: 182.17 g/mol
단동위원소 질량: 182.0579088

개요

3,4-Dimethoxy-5-hydroxybenzaldehyde has been reported in Zanthoxylum piperitum with data available.

이름 및 식별자

우선 이름: 3,4-Dimethoxy-5-hydroxybenzaldehyde
IUPAC: 3-hydroxy-4,5-dimethoxybenzaldehyde
현지명: 3,4-디메톡시-5-히드록시벤즈알데히드
영어명: 3,4-Dimethoxy-5-hydroxybenzaldehyde
분자식: C9H10O4
분자량: 182.17

이름 및 동의어

3,4-Dimethoxy-5-hydroxybenzaldehyde29865-90-53-Hydroxy-4,5-dimethoxybenzaldehydeDTXSID50183978RefChem:486252DTXCID90106469624-297-75-Hydroxy-3,4-dimethoxybenzaldehydeMFCD00010442Benzaldehyde, 3-hydroxy-4,5-dimethoxy-3-hydroxy-4,5-dimethoxy-benzaldehyde5-Hydroxyveratraldehyde

이름 더 보기

3,4-디메톡시-5-히드록시벤즈알데히드FR-2371ICLA-005258717_ALDRICH3,4-Dimethoxy-5-hydr5-Hydroxy-3,4-dimethoxybenzaldehyde>

5-Hydroxy-veratraldehyde; 3,4-Dimethoxy-5-hydroxybenzaldehyde; 3-Hydroxy-4,5-dimethoxybenzaldehyde; 5-Hydroxy-3,4-dimethoxybenzaldehyde; 5-Hydroxyveratraldehyde5-hydroxy-veratraldehydeSCHEMBL1050289SCHEMBL29361496ALBB-0298634,5-dimethoxy-3-hydroxybenzaldehydeSBB051422AKOS015851805

데이터베이스 식별자

CAS: 29865-90-5
PubChem CID: 141513
DTXSID: DTXSID50183978
EC Number: 624-297-7
Nikkaji: J364.657B

물성

구조 계산 물성

XLogP: 1
극성 표면적: 55.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 171

물리화학적 성질

녹는점: 67 · 67-69 °C (lit.)
끓는 점: 177 · 177-180 °C/12 mmHg (lit.)
밀도: 1.2481 · 1.2481 (rough estimate)
굴절률: 1.45 · 1.4500 (estimate)
저장 조건: Inert atmosphere,Room Temperature
용해도: 클로로포름, 메탄올에 용해됨
산도 계수 (pKa): 8.87 · 8.87±0.15(Predicted)
물리적 상태: 고체
색상: 회백색
InChI: 1S/C9H10O4/c1-12-8-4-6(5-10)3-7(11)9(8)13-2/h3-5,11H,1-2H3
InChIKey: NVLTWXMZECWWPC-UHFFFAOYSA-N
SMILES: COc1cc(C=O)cc(O)c1OC
NIST: 3 · 3,4-Dimethoxy-5-hydroxybenzaldehyde(29865-90-5)

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 42 reports by companies from 5 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
HS 번호: 2912490090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도5-Hydroxy-3,4-dimethoxybenzaldehyde is a useful synthetic intermediate. It was used in the synthesis of aryl benzothiazole derivatives with antitumor activities or as potential PET cancer imaging agents.

공급사74 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

河南赢创生物科技有限公司16650615803 · [email protected]

安徽合诺生物科技有限公司0555-2761852

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