2,3-디메톡시벤즈알데히드

2,3-Dimethoxybenzaldehyde

HCID 66581CAS 86-51-1
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
COc1cccc(C=O)c1OC
InChIKey
JIVGSHFYXPRRSZ-UHFFFAOYSA-N
분자식
C9H10O3
평균 분자량
166.17 g/mol
단동위원소 질량
166.06299418

개요

O-Veratraldehyde is a dimethoxybenzene.

이름 및 식별자

우선 이름
2,3-Dimethoxybenzaldehyde
IUPAC
2,3-dimethoxybenzaldehyde
현지명
2,3-디메톡시벤즈알데히드
영어명
2,3-Dimethoxybenzaldehyde
분자식
C9H10O3
분자량
166.17

이름 및 동의어

2,3-Dimethoxybenzaldehydeo-VeratraldehydeBenzaldehyde, 2,3-dimethoxy-5,6-DimethoxybenzaldehydeVERATRALDEHYDE, O-EINECS 201-677-78ALP3SY00LNSC 403661AI3-00141NSC-6314NSC-51953UNII-8ALP3SY00L
이름 더 보기
2,3-디메톡시벤즈알데히드2-VERATRALDEHYDE4-DiethoxybenzeneAKOS BBS-00003161OrthoveratraldehydeO-VERATRIC ALDEHYDE2,3-DimethoxybenzaldLABOTEST-BB LT009323253-DiMethoxybenzaldehyde
NSC-403661DTXSID802353332-Hydroxy-3-methoxybenzaldehyde, methyl etheroVeratraldehydeoVeratraldehyde (8CI)RefChem:81799o-Veratraldehyde (8CI)Benzaldehyde, 2,3dimethoxy

데이터베이스 식별자

CAS
86-51-1
PubChem CID
66581
DTXSID
DTXSID80235333
ChEMBL
CHEMBL3039102
ChEBI
CHEBI:228697
UNII
8ALP3SY00L
EC Number
201-677-7
Nikkaji
J96.722J

물성

구조 계산 물성

XLogP
1.1
극성 표면적
35.5 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
3
무거운 원자 수
12

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Benzaldehydes
Physical DescriptionOff-white or yellow moist crystalline powder; [Alfa Aesar MSDS]

물리화학적 성질

녹는점
48 · 48-52 °C (lit.)
끓는 점
137 °C/12 · 137 °C/12 mmHg (lit.)
밀도
1.1708 · 1.1708 (rough estimate)
굴절률
1.55 · 1.5500 (estimate)
인화점
230 °F · >230 °F
저장 조건
Keep in dark place,Sealed in dry,Room Temperature

화학적 성질

white to brown crystalline powder

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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: Benzaldehyde, 2,3-dimethoxy-

Benzaldehyde, 2,3-dimethoxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See Vanillin, Syringaldehyde, and 2-Methoxybenzaldehyde.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk
3
rtecs
CU5732000
HS 번호
29124900
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36

화학 및 산업

응용 분야 · 2건

개요2,3-Dimethoxybenzaldehyde, commonly known as o-veratrol, is an important aromatic aldehyde compound. Its structure is characterized by two methoxy substituents and one aldehyde group at the ortho (2 and 3) positions of the benzene ring. Due to its unique chemical structure, this compound occupies a central position in the field of pharmaceutical intermediates, especially as a key precursor in the synthesis of berberine. Furthermore, it possesses significant biological activities, such as antifungal and antiviral effects.

용도2,3-Dimethoxybenzaldehyde possess antifungal activity of redox-active benzaldehydes that target cellular antioxidation. It could function as chemosensitizing agents in concert with conventional drugs to improve antifungal efficacy.

상·하류 제품 정보

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
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