3,5-Dimethoxybenzaldehyde
Basic information
- CAS
7311-34-4- 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-P82W3UJ5DTP82W3UJ5DTBenzaldehyde, 3,5-dimiethoxyDTXSID50223388EINECS 230-772-6NSC 62667NSC-62667RefChem: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-NMFCD00003366ghl.PD_Mitscher_leg0.6943,5 dimetho3,5 dimethoxylbenzaldehyde3,5-dimethoxy benzaldehyde
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
- Formal charge
- 0
- Complexity
- 135
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
- solubility
- Chloroform (Slightly)
- form
- Crystalline Solid
- color
- White to beige
- Water Solubility
- insoluble
- Sensitive
- Air Sensitive
- BRN
- 2042374 · 2042374
- InChI
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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
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
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36-24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H335-H315-H319
Chemistry & industry
Applications
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
Downstream products
Related reactions
152 records
Compound notes
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