2,3,4-Trimethoxybenzaldehyde

HCID 75006CAS 2103-57-3
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccc(C=O)c(OC)c1OC
InChIKey
UCTUXUGXIFRVGX-UHFFFAOYSA-N
Molecular formula
C10H12O4
Average molar mass
196.2 g/mol
Monoisotopic mass
196.07355886

Names & identifiers

Preferred name
2,3,4-Trimethoxybenzaldehyde
IUPAC
2,3,4-trimethoxybenzaldehyde
English name
2,3,4-Trimethoxybenzaldehyde
Molecular formula
C10H12O4
Molecular weight
196.2

Names & synonyms

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
Show more names
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

Database identifiers

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

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
44.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
14

Experimental & physicochemical properties

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

Physicochemical properties

Melting point
38 · 38-40 °C(lit.)
Boiling point
168 · 168-170 °C12 mm Hg(lit.)
Density
1.2166 · 1.2166 (rough estimate)
refractive index
20 · n20/D 1.5547(lit.)
Flash point
230 °F · >230 °F
storage temp.
2 · Inert atmosphere,2-8°C

Safety & regulation

GHS classification

GHS Classification · 5 items

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.

Hazard information

Regulatory Information · 3 items

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%)

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
tsca
TSCA listed
hs_code
29124900
risk_code
36/37/38-34
Signal word
Warning

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzaldehyde, 2,3,4-trimethoxy-: INACTIVE
Applications · 3 items

Description2,3,4-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.

Uses2,3,4-Trimethoxybenzaldehyde is a trimethoxylated aromatic aldehyde. 2,3,4-Trimethoxybenzaldehyde is an Impurity of the anti-anginal drug Trimetazidine (T795610).

Uses2,3,4-Trimethoxybenzaldehyde was used to study the effects of 2,3,4-trimethoxybenzaldehyde on tubulin-dependent GTP hydrolysis.

Upstream & downstream products

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

Related reactions

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