Basic information
- CAS
519-05-1- Standard SMILES
COc1ccc(C=O)c(C(=O)O)c1OC- InChIKey
HVXXOIGTXJOVON-UHFFFAOYSA-N- Molecular formula
- C10H10O5
- Average molar mass
- 210.18 g/mol
- Monoisotopic mass
- 210.05282342
Overview
structure
Names & identifiers
- Preferred name
- 6-Formyl-2,3-dimethoxybenzoic acid
- IUPAC
- 6-formyl-2,3-dimethoxybenzoic acid
- English name
- 6-Formyl-2,3-dimethoxybenzoic acid
- Molecular formula
- C10H10O5
- Molecular weight
- 210.18
Names & synonyms
6-Formyl-2,3-dimethoxybenzoic acidOpianic acid519-05-15,6-Dimethoxy-2-formylbenzoic acidPhthalaldehydic acid, 5,6-dimethoxy-Benzoic acid, 6-formyl-2,3-dimethoxy-8Y12S106OWNSC-35546DTXSID20870580RefChem:168391DTXCID70818290208-261-4
Show more names
AKOS NCG-0019CHEMBRDG-BB 5106695Noscapine impurity 56-FORMLY-2,3-DIMETHOXYBENZOIC ACID
5,6-Dimethoxyphthalaldehydic acid2,3-Dimethoxy-6-formylbenzoic acido-Veratric acid, 6-formyl-2-Carboxy-3,4-dimethoxybenzaldehyde6-formyl-2,3-dimethoxy-benzoic acidMFCD00039572NSC35546Benzoic acid, 6-formyl-2,3-dimethoxy
Database identifiers
- CAS
519-05-1- PubChem CID
- 68210
- DTXSID
DTXSID20870580- UNII
- 8Y12S106OW
- EC Number
- 208-261-4
- Nikkaji
- J6.590K
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 240
Experimental & physicochemical properties
SpringerMaterials PropertiesDiamagnetic susceptibility
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 145 · 145-148°C
- Boiling point
- 309.7 °C · 309.7°C (rough estimate)
- Density
- 1.3408 · 1.3408 (rough estimate)
- refractive index
- 1.4717 · 1.4717 (estimate)
- storage temp.
- -20 °C · -20°C Freezer, Under inert atmosphere
- solubility
- DMSO (Slightly), Methanol (Slightly), Water (Slightly)
- form
- Solid
- pka
- 4.34 · 4.34±0.10(Predicted)
- color
- White
- Water Solubility
- 2.5 g/L · Soluble in water. 2.5 g/L (20°C).
- Sensitive
- Air Sensitive
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 (80%): 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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationOpianic acid: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
UsesOpianic Acid is a reagent used in the synthesis of novel 5-arylidene (thio)barbituric acid displaying urease activity.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers27 total
杭州摩库生物医药科技有限公司
Related reactions
1 records
Compound notes
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