CAS 51446-30-1 2-Fluoro-5-hydroxybenzoic acid (HCID 2774480)

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Basic information

CAS: 51446-30-1
Standard SMILES: O=C(O)c1cc(O)ccc1F
InChIKey: CZNFABVUVHWEJF-UHFFFAOYSA-N
Molecular formula: C7H5FO3
Average molar mass: 156.11 g/mol
Monoisotopic mass: 156.02227224

Names & identifiers

Preferred name: 2-Fluoro-5-hydroxybenzoic acid
IUPAC: 2-fluoro-5-hydroxybenzoic acid
English name: 2-FLUORO-5-HYDROXYBENZOIC ACID
Molecular formula: C7H5FO3
Molecular weight: 156.11

Names & synonyms

2-fluoro-5-hydroxybenzoic acid51446-30-1DTXSID30379054RefChem:87097DTXCID50330081610-663-3Benzoic acid, 2-fluoro-5-hydroxy-MFCD01862084SCHEMBL12644086-Fluoro-3-hydroxybenzoic acidCL80462-Fluoro-5-hydroxybenozic acid

Show more names

3-Carboxy-4-fluorophenol2-Fluoro-5-hydroxybenzoicaci2-Fluro-5-Hydroxybenzoic Acid

2-fluoro-5-hydroxybenozicacidBBL100666SBB062887AKOS005254790CS-W018013FS-1323AC-26046SY021836

Database identifiers

CAS: 51446-30-1
PubChem CID: 2774480
DTXSID: DTXSID30379054
EC Number: 610-663-3
Nikkaji: J1.594.337H

Properties

Computed structural properties

XLogP: 1.5
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: 201 · 201-203°C
Boiling point: 354.8 · 354.8±27.0 °C(Predicted)
Density: 1.492 · 1.492±0.06 g/cm3(Predicted)
storage temp.: RT, stored under nitrogen
pka: 3.15 · 3.15±0.10(Predicted)
form: Powder
Appearance: White to off-white Solid
CAS DataBase Reference: 51446 · 51446-30-1(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: C,Xi,Xn
Risk Statements: 36 · 36/37/38-51-41-22
Safety Statements: 26 · 26-36-39

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (81.2%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.