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Chemical Product CAS:367-12-42-Fluorophenol

CAS:367-12-4
2-Fluorophenol

  • CAS No:

    367-12-4
  • Name:

    2-Fluorophenol
  • Molecular Formula:

    C6H5FO
  • Molecular Weight:

    112.1
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2-Fluorophenol ( CASNO:367-12-4 )

Identification and Related Records
Name:
2-Fluorophenol
CAS Registry number:
367-12-4
Synonyms:
Fluorophenolmincolorlessliq
EINECS(EC#):
206-681-2
Molecular Formula:
C6H5FO
Molecular Weight:
112.1
Inchi:
InChI=1/C6H5FO/c7-5-3-1-2-4-6(5)8/h1-4,8H
InChIKey:
HFHFGHLXUCOHLN-UHFFFAOYSA-N
Canonical SMILES:
C1=CC=C(C(=C1)O)F
Chemical and Physical Properties
Appearance:
Clear to oragne liquid or solid
Density:
1.256
Melting Point:
16.1℃
Boiling Point:
171-172℃ (741 torr)
Refractive Index:
1.5134-1.5154
Flash Point:
46℃
Water:
moderately soluble
Solubilities:
moderately soluble
Stability:
Stable. Flammable. Incompatible with strong oxidizing agents.
HS Code:
29081000
Storage temp:
Flammables area
Computed Properties:
Molecular Weight:112.101703 [g/mol]
Molecular Formula:C6H5FO
XLogP3:1.7
H-Bond Donor:1
H-Bond Acceptor:2
Rotatable Bond Count:0
Tautomer Count:3
Exact Mass:112.032443
MonoIsotopic Mass:112.032443
Topological Polar Surface Area:20.2
Heavy Atom Count:8
Formal Charge:0
Complexity:74.9
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Donor Count:1
Feature 3D Ring Count:1
Effective Rotor Count:0
Conformer Sampling RMSD:0.4
CID Conformer Count:1
Safety and Handling
Hazard Codes:
Xn:Harmful
Risk Statements:
R10;R20/21/22;R36/37/38
Safety Statements:
S16;S26;S36/37/39
HazardClass:
3
Hazard Note:
Flammable/Corrosive
PackingGroup:
III
Transport:
200kgs
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