4-(4,6-Dimethoxypyrimidin-2-yl)benzoic acid
Basic information
- CAS
386715-40-8- Standard SMILES
COc1cc(OC)nc(-c2ccc(C(=O)O)cc2)n1- InChIKey
ARKCVXXCSBFGDT-UHFFFAOYSA-N- Molecular formula
- C13H12N2O4
- Average molar mass
- 260.24 g/mol
- Monoisotopic mass
- 260.07970687
Names & identifiers
- Preferred name
- 4-(4,6-Dimethoxypyrimidin-2-yl)benzoic acid
- IUPAC
- 4-(4,6-dimethoxypyrimidin-2-yl)benzoic acid
- English name
- 4-(4,6-Dimethoxypyrimidin-2-yl)benzoicacid
- Molecular formula
- C13H12N2O4
- Molecular weight
- 260.25
Names & synonyms
4-(4,6-Dimethoxypyrimidin-2-yl)benzoic acid386715-40-8DTXSID00371207RefChem:513505DTXCID70322241674-468-54-(4,6-Dimethoxy-2-pyrimidinyl)benzoic acidPeakdale1_001727HMS522O114-(4,6-DIMETHOXYPYRIMIDIN-2-YL)BENZOICACIDSCHEMBL2041874MFCD01568125
Show more names
4-(5-Nitropyrimidin-2-yl)benzoic acid4-(5-Ethylpyrimidin-2-yl)benzoic acid4-(4-Methoxypyrimidin-2-yl)benzoic acid4-(4,6-Dimethylpyrimidin-2-yl)benzoic acidBenzoic acid, 4-(4,6-dimethoxy-2-pyrimidinyl)-4-(4,6-Dimethoxypyrimidin-2-yl)benzoic acid 95+%4-(4,6-DIMETHOXYPYRIMIDIN-2-YL)BENZOICACID ISO 9001：2015 REACH
SBB102301AKOS015852111SB57924CS-0360085F023773SR-01000385461SR-01000385461-1
Database identifiers
- CAS
386715-40-8- PubChem CID
- 2736213
- DTXSID
DTXSID00371207- EC Number
- 674-468-5
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 81.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 293
Physicochemical properties
- Melting point
- 284 · 284~286℃
- Boiling point
- 358.4 · 358.4±34.0 °C(Predicted)
- Density
- 1.29 · 1.290±0.06 g/cm3(Predicted)
- pka
- 3.49 · 3.49±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS02
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H226
- Precautionary statements
- 501 · P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P403+P235
- HS Code
- 2933599590 · 2933599590
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
- 2933599590
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS02
- Hazard statements
- H315-H319-H226
- Precautionary statements
- P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P403+P235
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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