2-Fluoro-6-nitrobenzoic acid
Basic information
- CAS
385-02-4- Standard SMILES
O=C(O)c1c(F)cccc1[N+](=O)[O-]- InChIKey
MPDZCNPDHUUPRL-UHFFFAOYSA-N- Molecular formula
- C7H4FNO4
- Average molar mass
- 185.11 g/mol
- Monoisotopic mass
- 185.01243583
Names & identifiers
- Preferred name
- 2-Fluoro-6-nitrobenzoic acid
- IUPAC
- 2-fluoro-6-nitrobenzoic acid
- English name
- 2-Fluoro-6-nitrobenzoic acid
- Molecular formula
- C7H4FNO4
- Molecular weight
- 185.11
Names & synonyms
2-Fluoro-6-nitrobenzoic acid385-02-4DTXSID20345324RefChem:472566DTXCID30296398630-047-86-fluoro-2-nitrobenzoic acid2-Fluoro-6-nitro-benzoic acidBenzoic acid, 2-fluoro-6-nitro-MFCD018620792-Fluoro-6-nitrobenzoicacid6-fluoro-nitrobenzoic acid
Show more names
uoro-6-nitrobenzoic acid2-Fluoro-6-nitrobenzoicaci2-Fluoro-6-nitrobenzotc acidBenzoicacid, 2-fluoro-6-nitro-2-Carboxy-3-fluoronitrobenzene2-Flouride-6-Nitro Benzoic Acids2-Fluoro-6-nitrobenzoic acid, 97%2-Fluoro-6-nitrobenzoic acid, 98%,
4FJX3M6PK3SCHEMBL355378SCHEMBL178197472-Fluoro-6-nitrobenzoic acid #AC-880SBB063404AKOS005063885CS-W002848
Database identifiers
- CAS
385-02-4- PubChem CID
- 603758
- DTXSID
DTXSID20345324- UNII
- 4FJX3M6PK3
- EC Number
- 630-047-8
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 227
Physicochemical properties
- Melting point
- 150 °C · 150 °C
- Boiling point
- 334.7 · 334.7±27.0 °C(Predicted)
- Density
- 1.568 · 1.568±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 1.5 · 1.50±0.30(Predicted)
- form
- Solid
- color
- White to Light yellow to Light orange
- CAS DataBase Reference
- 385 · 385-02-4(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 29163900 · 29163900
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 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- hs_code
- 29163900
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses2-Fluoro-6-nitrobenzoic acid is used as an intermediate in the synthesis of certain drugs, pesticides or advanced materials.
Upstream & downstream products
Upstream raw materials
Related reactions
48 records
Compound notes
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