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2,3,4-Trimethoxybenzaldehyde

HCID 75006CAS 2103-57-3
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
COc1ccc(C=O)c(OC)c1OC
InChIKey
UCTUXUGXIFRVGX-UHFFFAOYSA-N
분자식
C10H12O4
평균 분자량
196.2 g/mol
단동위원소 질량
196.07355886

이름 및 식별자

우선 이름
2,3,4-Trimethoxybenzaldehyde
IUPAC
2,3,4-trimethoxybenzaldehyde
영어명
2,3,4-Trimethoxybenzaldehyde
분자식
C10H12O4
분자량
196.2

이름 및 동의어

2,3,4-Trimethoxybenzaldehyde2103-57-3Benzaldehyde, 2,3,4-trimethoxy-7ZY3UK34C4DTXSID6062179EINECS 218-271-0AI3-36670TRIMETAZIDINE DIHYDROCHLORIDE IMPURITY C [EP IMPURITY]TRIMETAZIDINE DIHYDROCHLORIDE IMPURITY C (EP IMPURITY)RefChem:441733Benzaldehyde, 2,3,4trimethoxyDTXCID6036413
이름 더 보기
TriMetazidine EP IMpurity-C2,3,4-TMBAKOS BBS-000031742,3,4-TrimethoxybenzaLTrimetazidine Impurity C4-TriMethoxybenzaldehydetrimetazidine impurity11392,3,4-TrimetoxybenzaldehydeTrimetazidine intermediate
218-271-0TrimethoxybenzaldehydeTrimetazidine EP Impurity CMFCD0000331054061-90-4Benzaldehyde, trimethoxy-2,3,4-Trimethoxy-benzaldehydeTrimetazidine Dihydrochloride Imp. C (EP); Trimetazidine Imp. C (EP); 2,3,4-Trimethoxybenzaldehyde; Trimetazidine Dihydrochloride Impurity C; Trimetazidine Impurity C

데이터베이스 식별자

CAS
2103-57-3、54061-90-4
PubChem CID
75006
DTXSID
DTXSID6062179
UNII
7ZY3UK34C4
EC Number
218-271-0、258-950-9
Nikkaji
J30.711D

물성

구조 계산 물성

XLogP
1.3
극성 표면적
44.8 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
4
회전 가능 결합 수
4
무거운 원자 수
14

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Benzaldehydes
Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionWhite to off-white powder; [Acros Organics MSDS]

물리화학적 성질

녹는점
38 · 38-40 °C(lit.)
끓는 점
168 · 168-170 °C12 mm Hg(lit.)
밀도
1.2166 · 1.2166 (rough estimate)
굴절률
20 · n20/D 1.5547(lit.)
인화점
230 °F · >230 °F
저장 조건
2 · Inert atmosphere,2-8°C

화학적 성질

white to light yellow crystals or cryst. powder

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 41.7% (5 of 12) of reports.

Warning

H315 (58.3%): 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 12 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: Benzaldehyde, 2,3,4-trimethoxy-

Status: Active Update: 09-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/24773

Benzaldehyde, 2,3,4-trimethoxy-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryMay cause irritation; [Acros Organics MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (58.3%)

안전 데이터

wgk
3
tsca
TSCA listed
HS 번호
29124900
risk_code
36/37/38-34
hazard_code
Xi,C
safety_code
22-24/25-45-36/37/39-27-26

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzaldehyde, 2,3,4-trimethoxy-: INACTIVE
응용 분야 · 2건

개요2,3,4-Trimethoxybenzaldehyde is a white crystalline powder, and the chemical formula is C 10H 12O 4; the molecular weight is 196.2; the fusing point is 38-40 degrees, and is a kind of important medicine intermediate; it is mainly used in new type drug Ca2+ Synthesizing of channel blocker. The alternative cerebral arteries that are used for this medicine reduce the headache incidence, mainly for the preparation of the intermediate of trimetazidine.

용도2,3,4-Trimethoxybenzaldehyde is a trimethoxylated aromatic aldehyde. 2,3,4-Trimethoxybenzaldehyde is an Impurity of the anti-anginal drug Trimetazidine (T795610).

상·하류 제품 정보

공급사50 곳

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