CAS Number86-81-7
Synonyms3,4,5-Trimethoxybenzaldehyde; tri-o-methylgallaldehyde; EINECS 201-701-6; 3,4,5-tri-(OMe)-PhCHO; BENZALDEHYDE,3,4,5-TRIMETHOXY; 3,4,5-Trimethoxybenzolcarbaldehyd; 3,4,5-trimethoxy-benzaldehyde; MFCD00003364
Molecular Formula(CH3O)3C6H2CHO
Molecular Weight196.20
Purity98%
Density1.1±0.1 g/cm3
Boiling Point163-165 °C/10 mmHg (lit.)
Melting Point72-74 °C (lit.)
Appearancewhite crystal
EINECS201-701-6
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 86-81-7 |
| Catalog No. | 2A-9017492 |
| Chinese Name | 3,4,5-三甲氧基苯甲醛 |
| Synonyms | 3,4,5-Trimethoxybenzaldehyde; tri-o-methylgallaldehyde; EINECS 201-701-6; 3,4,5-tri-(OMe)-PhCHO; BENZALDEHYDE,3,4,5-TRIMETHOXY; 3,4,5-Trimethoxybenzolcarbaldehyd; 3,4,5-trimethoxy-benzaldehyde; MFCD00003364 |
| Molecular Formula | (CH3O)3C6H2CHO |
| Molecular Weight | 196.20 |
| Purity | 98 |
| Density | 1.1±0.1 g/cm3 |
| Boiling Point | 163-165 °C/10 mmHg (lit.) |
| Melting Point | 72-74 °C (lit.) |
| Appearance | white crystal |
| Water Solubility | slightly soluble |
| Storage Condition | Protect from light and keep airtight. Packed in bu |
| Application | 3,4,5-Trimethoxybenzaldehyde is an intermediate in the synthesis of various drugs, especially trimethoprim, which is used to treat bacterial infections, including uropathogen infections [1]. |
| EINECS | 201-701-6 |
| HTC | 29124900 |
| PubChem ID | 24900409 |
| MDL Number | MFCD00003364 |
| SMILES | [H]C(=O)c1cc(OC)c(OC)c(OC)c1 |
| InChI | 1S/C10H12O4/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-6H,1-3H3 |
| InChI Key | OPHQOIGEOHXOGX-UHFFFAOYSA-N |
| Beilstein/REAXYS | 395163 |
| NACRES Code | NA.22 |
| UNSPSC | 12352100 |
| Hazard Symbols | Transport |
| MSDS | msds/17492_1_86_81_7.pdf |
| Bioactivity | 3,4,5-Trimethoxybenzaldehyde is an intermediate for the synthesis of various pharmaceuticals, especially for trimethoprim used to treat bacterial infections, including urinary tract pathogens infection[1]. Related Catalog Research Areas >> Infection Signaling Pathways >> Anti-infection >> Bacterial References [1]. Basanti LalHiran, et al. Oxidation of 3,4,5-trimethoxybenzaldehyde by pyridinium fluorochromate in N,N-dimethyl formamide medium: A kinetic and mechanistic study. Arabian Journal of Chemistry. Volume 9, Supplement 1, September 2016, Pages S440-S445 Chemical & Physical Properties Density 1.1±0.1 g/cm3 Boiling Point 311.4±37.0 °C at 760 mmHg Melting Point 72-74 °C(lit.) Molecular Formula C10H12O4 Molecular Weight 196.200 Flash Point 136.8±26.5 °C Exact Mass 196.073563 PSA 44.76000 LogP 1.40 Vapour Pressure 0.0±0.7 mmHg at 25°C Index of Refraction 1.525 InChIKey OPHQOIGEOHXOGX-UHFFFAOYSA-N SMILES COc1cc(C=O)cc(OC)c1OC Storage condition 2-8°C Water Solubility slightly soluble |
| Use of | 3,4,5-Trimethoxybenzaldehyde is an intermediate for the synthesis of various pharmaceuticals, especially for trimethoprim used to treat bacterial infections, including urinary tract pathogens infection[1]. Properties Name 3,4,5-Trimethoxybenzaldehyde Synonym More Synonyms 3,4,5-Trimethoxybenzaldehyde Biological Activity Description 3,4,5-Trimethoxybenzaldehyde is an intermediate for the synthesis of various pharmaceuticals, especially for trimethoprim used to treat bacterial infections, including urinary tract pathogens infection[1]. Related Catalog Research Areas >> Infection Signaling Pathways >> Anti-infection >> Bacterial References [1]. Basanti LalHiran, et al. Oxidation of 3,4,5-trimethoxybenzaldehyde by pyridinium fluorochromate in N,N-dimethyl formamide medium: A kinetic and mechanistic study. Arabian Journal of Chemistry. Volume 9, Supplement 1, September 2016, Pages S440-S445 Chemical & Physical Properties Molecular Formula C10H12O4 Exact Mass 196.073563 PSA 44.76000 Index of Refraction 1.525 InChIKey OPHQOIGEOHXOGX-UHFFFAOYSA-N Water Solubility slightly soluble |
| Tax Rebate | 9.0% |
| Supervision | None. MFN tariff: 5.5%. Ordinary tariff: 30.0% |
| Transport Info | Shipping Name: UN |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 United Nations shipping name European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available |
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