3,5-Dimethoxybenzaldehyde

HCID 81747CAS 7311-34-4
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1cc(C=O)cc(OC)c1
InChIKey
VFZRZRDOXPRTSC-UHFFFAOYSA-N
Molecular formula
C9H10O3
Average molar mass
166.17 g/mol
Monoisotopic mass
166.06299418

Overview

3,5-Dimethoxybenzaldehyde is a dimethoxybenzene.

Names & identifiers

Preferred name
3,5-Dimethoxybenzaldehyde
IUPAC
3,5-dimethoxybenzaldehyde
English name
3,5-Dimethoxybenzaldehyde
Molecular formula
C9H10O3
Molecular weight
166.17

Names & synonyms

3,5-Dimethoxybenzaldehyde7311-34-4Benzaldehyde, 3,5-dimethoxy-UNII-P82W3UJ5DTP82W3UJ5DTDTXSID50223388EINECS 230-772-6NSC 62667NSC-62667Benzaldehyde, 3,5-dimiethoxyRefChem:91565DTXCID50145879
Show more names
311-34-43,5-Dimetho3,5-DimethoxybenzaL3,5-Dimethoxybenzald3,5-Dimethoxybenzaldehye3,5-dimethoxybenzaldehdye3,5-DimethoxybenzeldehydePhloroglucinol Impurity 100
230-772-6InChI=1/C9H10O3/c1-11-8-3-7(6-10)4-9(5-8)12-2/h3-6H,1-2HVFZRZRDOXPRTSC-UHFFFAOYSA-N3,5-dimethoxy-benzaldehydeMFCD000033663,5-dimethoxy benzaldehydeghl.PD_Mitscher_leg0.6943,5-Dimethoxybenzaldehyde, 98%

Database identifiers

CAS
7311-34-4
PubChem CID
81747
DTXSID
DTXSID50223388
ChEMBL
CHEMBL234037
ChEBI
CHEBI:173755
UNII
P82W3UJ5DT
EC Number
230-772-6
Nikkaji
J148.005G

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
35.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
12

Experimental & physicochemical properties

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physicochemical properties

Melting point
45 · 45-48 °C (lit.)
Boiling point
151 °C/16 · 151 °C/16 mmHg (lit.)
Density
1.1708 · 1.1708 (rough estimate)
refractive index
1.526 · 1.5260 (estimate)
Flash point
230 °F · >230 °F
storage temp.
Keep in dark place,Sealed in dry,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 4 items

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 48 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Chemical: Benzaldehyde, 3,5-dimethoxy-

Benzaldehyde, 3,5-dimethoxy-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

F
9
PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
hs_code
29124990
risk_code
36/37/38
Signal word
Warning

Chemistry & industry

Applications · 3 items

Description3,5-Dimethoxybenzaldehyde is an important raw material for chemical production and can be used for the synthesis of other organic compounds such as 3,5-Dimethoxybenzonitrile, 3,5-Dimethoxybenzylamine and 3,5-Dihydroxybenzaldehyde.

Uses3,5-Dimethoxybenzaldehyde is used as a building block in organic synthesis. It is used to prepare isomeric hyperbranched polyetherketones.

Uses3,5-Dimethoxybenzaldehyde is used frequently as synthetic building block. 3,5-Dimethoxybenzaldehyde, is a benzaldehyde derivative, that can be used as a building block in the synthesis of more complex structures.

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]
衢州润东化工有限公司0570-8789886 18892685668 · [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]

Additional notes

DefinitionChEBI: 3,5-Dimethoxybenzaldehyde is a dimethoxybenzene.

Related reactions

152 records
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Linked notes

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