2-Amino-3-fluorobenzoic acid
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Basic information
- CAS
825-22-9- Standard SMILES
Nc1c(F)cccc1C(=O)O- InChIKey
KUHAYJJXXGBYBW-UHFFFAOYSA-N- Molecular formula
- C7H6FNO2
- Average molar mass
- 155.13 g/mol
- Monoisotopic mass
- 155.03825665
Names & identifiers
- Preferred name
- 2-Amino-3-fluorobenzoic acid
- IUPAC
- 2-amino-3-fluorobenzoic acid
- English name
- 2-Amino-3-fluorobenzoic acid
- Molecular formula
- C7H6FNO2
- Molecular weight
- 155.13
Names & synonyms
2-Amino-3-fluorobenzoic acid825-22-9DTXSID70342984RefChem:463892DTXCID60294064630-115-73-Fluoroanthranilic Acid2-amino-3-fluoro-benzoic acidBenzoic acid, 2-amino-3-fluoro-MFCD015693952-amino-3-fluorobenzenecarboxylic acidC7H6FNO2
Show more names
Diaphonic acidBUTTPARK 22\01-93uorobenzenecarboxyL2-AMino-3-fluorobenz2-AMINO-3-FLUOROBENZOIC3-FluoroanthranilicAcid>2-Amino-3-fluorobenzoicAci2-Amino-3-Fluoride Benzoic Acids
4owm3-fluoroanthranilate2-Azanyl-3-Fluoranyl-Benzoic Acid2-Amino-3-fluorobenzoic acid #AKOS005073124KC-07132-Amino-3-fluorobenzoic acid, AldrichCPRF0570
Database identifiers
- CAS
825-22-9- PubChem CID
- 586408
- DTXSID
DTXSID70342984- EC Number
- 630-115-7
- Nikkaji
- J2.087.259D
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Melting point
- 171 · 171-172°C
- Boiling point
- 294.4 · 294.4±25.0 °C(Predicted)
- Density
- 1.43 · 1.430±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 4.6 · 4.60±0.10(Predicted)
- color
- White to Light yellow to Light orange
- InChI
- InChI=1S/C7H6FNO2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,9H2,(H,10,11)
- InChIKey
- KUHAYJJXXGBYBW-UHFFFAOYSA-N
- SMILES
- C(O)(=O)C1=CC=CC(F)=C1N
- CAS DataBase Reference
- 825 · 825-22-9(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- Hazard Codes
- Xi,Xn
- Risk Statements
- 36 · 36/37/38-22
- Safety Statements
- 26 · 26-36/37/39-24/25
- HazardClass
- IRRITANT
- HS Code
- 29223990 · 29223990
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 (40%): 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)
Aggregated GHS information provided per 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (40%)
Safety data
- hs_code
- 29223990
- risk_code
- 36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-36/37/39-24/25
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
40 records
Compound notes
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