Basic information
- CAS
1369879-25-3- Standard SMILES
CC(C)Oc1cccc(F)c1C(=O)O- InChIKey
KHMWBBKORQRKHW-UHFFFAOYSA-N- Molecular formula
- C10H11FO3
- Average molar mass
- 198.19 g/mol
- Monoisotopic mass
- 198.06922237
Names & identifiers
- Preferred name
- 2-Fluoro-6-isopropoxybenzoic acid
- IUPAC
- 2-fluoro-6-propan-2-yloxybenzoic acid
- English name
- 2-Fluoro-6-isopropoxybenzoic acid
- Molecular formula
- C10H11FO3
- Molecular weight
- 198.19
Names & synonyms
1369879-25-32-Fluoro-6-isopropoxybenzoic acid2-fluoro-6-(propan-2-yloxy)benzoic acidMFCD219449212-fluoro-6-isopropoxy-benzoic acidAKOS0180678922-fluoro-6-propan-2-yloxybenzoic acidCS-0191129E92110F629080A1-21153Benzoic acid, 2-fluoro-6-(1-methylethoxy)-
Database identifiers
- CAS
1369879-25-3- PubChem CID
- 79512438
- EC Number
- 184-237-6
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 206
Physicochemical properties
- Boiling point
- 282.4 · 282.4±20.0 °C(Predicted)
- Density
- 1.211 · 1.211±0.06 g/cm3(Predicted)
- pka
- 3.31 · 3.31±0.10(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
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-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
南京代盟化工有限公司02566880956 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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