Basic information
- CAS
730951-44-7- Standard SMILES
COc1cccc(C(=O)O)c1OC(F)F- InChIKey
FDSBERKHOFDDQL-UHFFFAOYSA-N- Molecular formula
- C9H8F2O4
- Average molar mass
- 218.15 g/mol
- Monoisotopic mass
- 218.03906506
Names & identifiers
- Preferred name
- 2-(Difluoromethoxy)-3-methoxybenzoic acid
- IUPAC
- 2-(difluoromethoxy)-3-methoxybenzoic acid
- English name
- Benzoic acid, 2-(difluoromethoxy)-3-methoxy-
- Molecular formula
- C9H8F2O4
- Molecular weight
- 218.15
Names & synonyms
2-(difluoromethoxy)-3-methoxybenzoic acid730951-44-7RefChem:460598989-403-92-(difluoromethoxy)-3-methoxy-benzoic AcidYQF1439FDSBERKHOFDDQL-UHFFFAOYSA-NFEB95144MFCD04621703AKOS000117111AT129022-(difluoromethoxy)-3-methoxybenzoicacid
Show more names
Benzoic acid, 2-(difluoromethoxy)-3-methoxy-
SY135891CS-0220378EN300-06515Z56943803
Database identifiers
- CAS
730951-44-7- PubChem CID
- 2394052
- EC Number
- 989-403-9
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 222
Physicochemical properties
- Boiling point
- 299.3 · 299.3±35.0 °C(Predicted)
- Density
- 1.352 · 1.352±0.06 g/cm3(Predicted)
- pka
- 3.02 · 3.02±0.36(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · 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
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 1 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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