2-Fluoro-4,5-dimethoxybenzoic acid
Basic information
- CAS
79474-35-4- Standard SMILES
COc1cc(F)c(C(=O)O)cc1OC- InChIKey
DFGPPMUENMUUDV-UHFFFAOYSA-N- Molecular formula
- C9H9FO4
- Average molar mass
- 200.16 g/mol
- Monoisotopic mass
- 200.04848693
Names & identifiers
- Preferred name
- 2-Fluoro-4,5-dimethoxybenzoic acid
- IUPAC
- 2-fluoro-4,5-dimethoxybenzoic acid
- English name
- 2-Fluoro-4,5-dimethoxybenzoic acid
- Molecular formula
- C9H9FO4
- Molecular weight
- 200.16
Names & synonyms
2-Fluoro-4,5-dimethoxybenzoic acid79474-35-4Benzoic acid, 2-fluoro-4,5-dimethoxy-DTXSID70345955RefChem:87060DTXCID90297028828-125-3InChI=1/C9H9FO4/c1-13-7-3-5(9(11)12)6(10)4-8(7)14-2/h3-4H,1-2H3,(H,11,12MFCD062085682-Fluoro-4,5-dimethoxybenzoicacid2-Fluoro-4,5-dimethoxy-benzoic acidSCHEMBL1766160
Show more names
4,5-Dimethoxy-2-fluorobenzoic acid
AKOS012163220AMY322972-Fluoro-45-dimethoxybenzoic acidEDA474352-Fluoro-4,5-dimethoxybenzoic acid #DS-16073SY113063DB-330322
Database identifiers
- CAS
79474-35-4- PubChem CID
- 608285
- DTXSID
DTXSID70345955- EC Number
- 828-125-3
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 209
Physicochemical properties
- Boiling point
- 295.9 · 295.9±35.0 °C(Predicted)
- Density
- 1.298 · 1.298±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 3.42 · 3.42±0.10(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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