2,3-Dichloro-4-fluorobenzoic acid

HCID 10330705

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Basic information

CAS: 154257-76-8
Standard SMILES: O=C(O)c1ccc(F)c(Cl)c1Cl
InChIKey: KPFXMYOQAANDKH-UHFFFAOYSA-N
Molecular formula: C7H3Cl2FO2
Average molar mass: 209 g/mol
Monoisotopic mass: 207.9494129

Names & identifiers

Preferred name: 2,3-Dichloro-4-fluorobenzoic acid
IUPAC: 2,3-dichloro-4-fluorobenzoic acid
English name: 2,3-DICHLORO-4-FLUOROBENZOIC ACID
Molecular formula: C7H3Cl2FO2
Molecular weight: 209

Names & synonyms

2,3-Dichloro-4-fluorobenzoic acid154257-76-82,3-dichloro-4-fluoro-benzoic AcidMFCD0983520023-Dichloro-4-fluorobenzoic acidBenzoic acid, 2,3-dichloro-4-fluoro-2,3-Dichloro-4-fluorobenzoicacidSCHEMBL109128DTXSID20438205KPFXMYOQAANDKH-UHFFFAOYSA-NAKOS015890099AC-3945

Show more names

DS-0828SY104986CS-0157200EN300-177254F077804

Database identifiers

CAS: 154257-76-8
PubChem CID: 10330705
DTXSID: DTXSID20438205
EC Number: 138-950-4

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 188

Physicochemical properties

Boiling point: 305.9 · 305.9±37.0 °C(Predicted)
Density: 1.606 · 1.606±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 2.44 · 2.44±0.28(Predicted)
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HS Code: 2916399090 · 2916399090

Safety & regulation

GHS classification

GHS Classification · 4 items

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.