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HomeProduct name list3-Chloro-2-fluorobenzoic acid

3-Chloro-2-fluorobenzoic acid

  • CAS NO.:161957-55-7
  • Empirical Formula: C7H4ClFO2
  • Molecular Weight: 174.56
  • MDL number: MFCD00042506
  • EINECS: 630-303-9
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-04-03 15:02:24
3-Chloro-2-fluorobenzoic acid Structural

What is 3-Chloro-2-fluorobenzoic acid?

Chemical properties

white to light yellow crystal powder

Synthesis Reference(s)

Tetrahedron Letters, 36, p. 881, 1995 DOI: 10.1016/0040-4039(94)02385-O

Properties of 3-Chloro-2-fluorobenzoic acid

Melting point: 177-180 °C (lit.)
Boiling point: 278.9±20.0 °C(Predicted)
Density  1.477±0.06 g/cm3(Predicted)
storage temp.  Sealed in dry,Room Temperature
solubility  soluble in Methanol
form  powder to crystal
pka 2.90±0.10(Predicted)
color  White to Light yellow to Light red
BRN  7127637
InChI InChI=1S/C7H4ClFO2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,(H,10,11)
CAS DataBase Reference 161957-55-7(CAS DataBase Reference)

Safety information for 3-Chloro-2-fluorobenzoic acid

Signal word Warning
Pictogram(s)
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P405:Store locked up.

Computed Descriptors for 3-Chloro-2-fluorobenzoic acid

InChIKey FCSSYEWURMTUSM-UHFFFAOYSA-N
SMILES C(O)(=O)C1=CC=CC(Cl)=C1F

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