3-[(4,6-Dimethoxypyrimidin-2-yl)oxy]benzoic acid
Basic information
- CAS
387350-58-5- Standard SMILES
COc1cc(OC)nc(Oc2cccc(C(=O)O)c2)n1- InChIKey
OOPDBWHZCPMFHO-UHFFFAOYSA-N- Molecular formula
- C13H12N2O5
- Average molar mass
- 276.24 g/mol
- Monoisotopic mass
- 276.07462149
Names & identifiers
- Preferred name
- 3-[(4,6-Dimethoxypyrimidin-2-yl)oxy]benzoic acid
- IUPAC
- 3-(4,6-dimethoxypyrimidin-2-yl)oxybenzoic acid
- English name
- METHYL 3-FORMYLINDOLE-6-CARBOXYLATE
- Molecular formula
- C13H12N2O5
- Molecular weight
- 276.24
Names & synonyms
387350-58-53-[(4,6-Dimethoxypyrimidin-2-yl)oxy]benzoic acid3-((4,6-Dimethoxypyrimidin-2-yl)oxy)benzoic acidDTXSID20371209RefChem:272942DTXCID90322243674-446-53-(4,6-dimethoxypyrimidin-2-yl)oxybenzoic acidPeakdale1_000043HMS518B21MFCD00203067SCHEMBL2901873
Show more names
RARECHEM AH BS 0104TIMTEC-BB SBB003516LABOTEST-BB LT00441287METHYL 3-FORMYL-1H-INDOLE-6-CARBOXYLATE3-(4,6-dimethoxypyrimidin-2-yl)oxybenzoicaci3-[(4,6-dimethoxy-2-pyrimidinyl)oxy]benzoic acidINDOLE-3-ALDEHYDE-6-CARBOXYLIC ACID METHYL ESTER3-FORMYL-1H-INDOLE-6-CARBOXYLIC ACID METHYL ESTERBenzoic acid,3-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-METHYL 3-FORMYLINDOLE-6-CARBOXYLATE ISO 9001：2015 REACH
AKOS015852185PS-7244SB57936CS-03324673-((4,6-Dimethoxypyrimidin-2-yl)oxy)benzoicacidSR-01000384147SR-01000384147-1
Database identifiers
- CAS
387350-58-5- PubChem CID
- 2736219
- DTXSID
DTXSID20371209- EC Number
- 674-446-5
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 90.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 316
Physicochemical properties
- Melting point
- 220 · 220-224
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2918999090 · 2918999090
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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2918999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H335-H319-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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