4-Fluorosalicylic acid

HCID 67661

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Basic information

CAS: 345-29-9
Standard SMILES: O=C(O)c1ccc(F)cc1O
InChIKey: TTZOLDXHOCCNMF-UHFFFAOYSA-N
Molecular formula: C7H5FO3
Average molar mass: 156.11 g/mol
Monoisotopic mass: 156.02227224

Names & identifiers

Preferred name: 4-Fluorosalicylic acid
IUPAC: 4-fluoro-2-hydroxybenzoic acid
English name: 4-Fluoro-2-hydroxybenzoic acid
Molecular formula: C7H5FO3
Molecular weight: 156.11

Names & synonyms

4-Fluorosalicylic acidEINECS 206-459-5DTXSID80188057NSC 109099RefChem:523490DTXCID10110548206-459-54-Fluoro-2-hydroxybenzoic Acid345-29-94-fluorosalicyclic acidMFCD001531684-fluoro-2-hydroxy-benzoic acid

Show more names

uorosaLRARECHEM AL BE 1428luorohydroxybenzoicacid4-FluorosalicylicAcid>Azithromycin Impurity 51fluorohydroxybenzoicacid54-Fluorosalicylicacid,98%

2-hydroxy-4-fluorobenzoic acidBenzoic acid, 4-fluoro-2-hydroxy-OOI4-FLUORO-2-HYDROXYBENZOICACIDTavaborole Impurity 23SCHEMBL1882034-Fluorosalicylic acid, 96%orb2940329

Database identifiers

CAS: 345-29-9
PubChem CID: 67661
DTXSID: DTXSID80188057
ChEMBL: CHEMBL1650626
EC Number: 206-459-5
Nikkaji: J193.796K

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 57.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 160

Physicochemical properties

Melting point: 170 °C · 170 °C (dec.) (lit.)
Boiling point: 300.5 · 300.5±27.0 °C(Predicted)
Density: 1.492 · 1.492±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
solubility: Soluble in methanol.
pka: 2.85 · 2.85±0.10(Predicted)
form: Crystalline Powder
color: White to orange
BRN: 2209124 · 2209124
InChI: InChI=1S/C7H5FO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,(H,10,11)
InChIKey: TTZOLDXHOCCNMF-UHFFFAOYSA-N
SMILES: C(O)(=O)C1=CC=C(F)C=C1O
CAS DataBase Reference: 345 · 345-29-9(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26
WGK Germany: 3 · 3
Hazard Note: Corrosive
HazardClass: IRRITANT
HS Code: 29182900 · 29182900
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

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 49 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.