2,5-디메톡시벤즈알데히드

2,5-Dimethoxybenzaldehyde

HCID 66726CAS 93-02-7
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
COc1ccc(OC)c(C=O)c1
InChIKey
AFUKNJHPZAVHGQ-UHFFFAOYSA-N
분자식
C9H10O3
평균 분자량
166.17 g/mol
단동위원소 질량
166.06299418

개요

2,5-dimethoxy-Benzaldehyde is a dimethoxybenzene.

이름 및 식별자

우선 이름
2,5-Dimethoxybenzaldehyde
IUPAC
2,5-dimethoxybenzaldehyde
현지명
2,5-디메톡시벤즈알데히드
영어명
2,5-Dimethoxybenzaldehyde
분자식
C9H10O3
분자량
166.17

이름 및 동의어

2,5-Dimethoxybenzaldehyde93-02-7Benzaldehyde, 2,5-dimethoxy-DTXSID5052620W49S1PPL78NSC-6315DTXCID9031193RefChem:82908202-211-52,5-Dimethoxy benzaldehydeNSC 6315MFCD00003314
이름 더 보기
2,5-디메톡시벤즈알데하이드2,5-디메톡시벤즈알데히드3400793-02--7Benzaldehyde CRS2,5-DimethoxybenzaL5-DiMethoxy benzaldehyde2,5-dimethoxy-benzaldehyd2,5-Dimethoxybenzaldehyde,97%2,5-DiMethoxybenzaldehyde, 97% 25GR
2,5-dimethoxy-benzaldehydeEINECS 202-211-52.5-dimethoxybenzaldehydeAKOS000118971CAS-93-02-7D1111F2190-06152,5-Dimethoxybenzaldehyde, Vetec(TM) reagent grade, 98%

데이터베이스 식별자

CAS
93-02-7
PubChem CID
66726
DTXSID
DTXSID5052620
ChEMBL
CHEMBL3560070
ChEBI
CHEBI:183284
UNII
W49S1PPL78
EC Number
202-211-5
Nikkaji
J79.440F

물성

구조 계산 물성

XLogP
1.5
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
LogP1.91
Vapor Pressure0.01 [mmHg]
Physical DescriptionOff-white or yellow crystalline solid; [Alfa Aesar MSDS]

물리화학적 성질

녹는점
46 · 46-48 °C (lit.)
끓는 점
146 °C/10 · 146 °C/10 mmHg (lit.)
밀도
1.1708 · 1.1708 (rough estimate)
굴절률
1.526 · 1.5260 (estimate)
인화점
230 °F · >230 °F
저장 조건
Keep in dark place,Sealed in dry,Room Temperature

화학적 성질

yellow crystalline solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

P233, P260, P261, P264, P264+P265, P271, P280, P284, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationBenzaldehyde, 2,5-dimethoxy-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryCauses somnolence, excitement, and muscle weakness in oral lethal-dose studies of mice; [RTECS] A skin and strong eye irritant; [Alfa Aesar MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk
2
tsca
TSCA listed
rtecs
CU5740500
HS 번호
29124900
risk_code
36/37/38-43
hazard_code
Xi

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzaldehyde, 2,5-dimethoxy-: ACTIVE
응용 분야 · 2건

용도의료용 중간체로 사용.

용도2,5-Dimethoxybenzaldehyde is used in the preparation of 2,5-dimethoxyphenethylamine, which is utilized to prepare psychoactive drugs such as 2,5-dimethoxy-4-bromophenethylamine, 2,5-dimethoxy-4-iodophenethylamine and 4-Chloro-2,5-dimethoxy-phenethylamine. It acts as an intermediate in organic synthesis.

제조 방법 · 1건

2,5-Dimethoxybenzaldehyde synthesis: Anethole is oxidized to anisaldehyde , which after isolation is subjected to a BaeyerVilliger oxidation reaction with performic or peracetic acid. The O-formyl-4-methoxyphenol obtained this way is hydrolyzed . 4-Methoxyphenol is subsequently formylated using the Reimer-Tiemann method and the obtained 2-hydroxy-5-methoxybenzaldehyde is methylated with dimethylsulfate to 2,5-dimethoxybenzaldehyde.

상·하류 제품 정보

공급사50 곳

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